 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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                  1.9656663360          -0.25019961976
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                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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                  2.5207180000          -1.0707548832
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                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
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                 12.000000000           -1.6510077975
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
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            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895306/Gau-136241.inp" -scrdir="/scratch/9895306/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    136242.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer03_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=Water)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=1,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=1,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:13:53 2022, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer03_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.802701000000      1.185868000000     -0.155223000000
  C                                                -1.539114000000     -0.058168000000      0.301617000000
  C                                                 0.694862000000      1.030292000000      0.045515000000
  C                                                 1.190748000000     -0.254953000000     -0.615577000000
  O                                                 0.429294000000     -1.375454000000     -0.150440000000
  C                                                -0.958807000000     -1.274656000000     -0.405424000000
  O                                                -1.212443000000      2.340377000000      0.564498000000
  H                                                -0.996847000000      1.328656000000     -1.227279000000
  O                                                -2.912981000000      0.125709000000     -0.006195000000
  H                                                -1.394142000000     -0.197407000000      1.379285000000
  H                                                 0.904711000000      0.974487000000      1.119148000000
  O                                                 1.399422000000      2.110875000000     -0.544610000000
  C                                                 2.641121000000     -0.568017000000     -0.289807000000
  H                                                 1.084130000000     -0.152517000000     -1.704362000000
  O                                                -1.593558000000     -2.403373000000      0.110234000000
  H                                                -1.121572000000     -1.189787000000     -1.491375000000
  H                                                -2.171127000000      2.411548000000      0.483789000000
  H                                                -3.392257000000     -0.655851000000      0.292660000000
  H                                                 1.018230000000      2.925417000000     -0.195277000000
  O                                                 2.840914000000     -0.797107000000      1.093949000000
  H                                                 3.260544000000      0.283592000000     -0.566380000000
  H                                                 2.952873000000     -1.437215000000     -0.881027000000
  H                                                -1.324223000000     -3.177621000000     -0.397061000000
  H                                                 2.217854000000     -1.483716000000      1.361779000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516124   0.000000
     3  C    1.518945   2.498196   0.000000
     4  C    2.502345   2.886540   1.528005   0.000000
     5  O    2.842218   2.411271   2.428279   1.432371   0.000000
     6  C    2.478134   1.522007   2.872412   2.388419   1.414921
     7  O    1.420837   2.434921   2.371387   3.728759   4.124783
     8  H    1.098811   2.134211   2.137967   2.769038   3.241245
     9  O    2.366311   1.419884   3.719876   4.166154   3.666756
    10  H    2.148946   1.096254   2.765886   3.265646   2.655706
    11  H    2.141018   2.776151   1.095371   2.145370   2.712950
    12  O    2.420043   3.749112   1.418560   2.376073   3.640193
    13  C    3.867058   4.252540   2.540661   1.519117   2.358719
    14  H    2.784104   3.303674   2.147705   1.098778   2.083041
    15  O    3.684912   2.353631   4.126877   3.590943   2.283966
    16  H    2.744215   2.160954   3.254261   2.643437   2.058583
    17  H    1.945049   2.555802   3.211518   4.429564   4.637437
    18  H    3.209101   1.947163   4.428171   4.689301   3.913875
    19  H    2.518616   3.960895   1.937536   3.212657   4.341238
    20  O    4.332269   4.512036   3.007348   2.437100   2.774689
    21  H    4.182477   4.889472   2.741295   2.139277   3.307781
    22  H    4.638070   4.845448   3.470689   2.138526   2.627931
    23  H    4.401194   3.203953   4.688188   3.861971   2.526549
    24  H    4.307171   4.155832   3.220604   2.544551   2.344669
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.751472   0.000000
     8  H    2.730225   2.068943   0.000000
     9  O    2.437048   2.849960   2.570933   0.000000
    10  H    2.129593   2.671561   3.046455   2.081065   0.000000
    11  H    3.294793   2.579851   3.040901   4.069594   2.593402
    12  O    4.128249   2.846863   2.611515   4.777823   4.102869
    13  C    3.670448   4.902912   4.208448   5.604439   4.382530
    14  H    2.668338   4.078786   2.598451   4.351790   3.956353
    15  O    1.393849   4.780666   4.009120   2.854941   2.552752
    16  H    1.101356   4.086188   2.535322   2.673095   3.049558
    17  H    3.981020   0.964704   2.340800   2.452650   2.865705
    18  H    2.606131   3.715221   3.462148   0.964290   2.320213
    19  H    4.646875   2.428051   2.770417   4.829962   4.248625
    20  O    4.112670   5.153041   4.963404   5.930364   4.286812
    21  H    4.500774   5.051422   4.433320   6.200899   5.067847
    22  H    3.943839   5.805997   4.834276   6.133213   5.053976
    23  H    1.937750   5.602267   4.593797   3.686315   3.470154
    24  H    3.641138   5.198681   4.994693   5.548610   3.834242
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.074658   0.000000
    13  C    2.716541   2.963647   0.000000
    14  H    3.045413   2.562689   2.144254   0.000000
    15  O    4.320786   5.455748   4.632609   3.940701   0.000000
    16  H    3.950283   4.259829   3.998528   2.446715   2.064149
    17  H    3.453926   3.727845   5.712617   4.686057   4.863804
    18  H    4.669584   5.596068   6.062065   4.927421   2.514444
    19  H    2.355149   0.964790   3.853154   3.428609   5.942287
    20  O    2.624512   3.635813   1.416750   3.366353   4.817917
    21  H    2.977967   2.608297   1.088768   2.494388   5.589266
    22  H    3.743257   3.887844   1.096465   2.412577   4.752483
    23  H    4.950458   5.950479   4.748209   4.081722   0.964028
    24  H    2.797495   4.150329   1.935303   3.529680   4.115701
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.239393   0.000000
    18  H    2.936644   3.307057   0.000000
    19  H    4.815966   3.301089   5.702277   0.000000
    20  O    4.747567   5.982334   6.286051   4.340676   0.000000
    21  H    4.714807   5.927403   6.773497   3.484958   2.025017
    22  H    4.127329   6.552181   6.499904   4.821375   2.079135
    23  H    2.278174   5.721185   3.333437   6.540250   5.023776
    24  H    4.402119   5.933557   5.770764   4.827419   0.965074
                   21         22         23         24
    21  H    0.000000
    22  H    1.776187   0.000000
    23  H    5.747065   4.642929   0.000000
    24  H    2.815737   2.360634   4.302225   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1719254           0.8169867           0.5340835
 Leave Link  202 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       832.2526422312 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0394411670 Hartrees.
 Nuclear repulsion after empirical dispersion term =      832.2132010642 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   24.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      24
 GePol: Total number of spheres                      =      24
 GePol: Number of exposed spheres                    =      24 (100.00%)
 GePol: Number of points                             =    1719
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.27D-09
 GePol: Maximum weight of points                     =    0.20322
 GePol: Number of points with low weight             =     103
 GePol: Fraction of low-weight points (<1% of avg)   =       5.99%
 GePol: Cavity surface area                          =    225.709 Ang**2
 GePol: Cavity volume                                =    232.645 Ang**3
 Leave Link  301 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.45D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   377   377   377   377   377 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Wed Mar 16 19:13:55 2022, MaxMem=  5368709120 cpu:               2.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:13:55 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer03_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:13:55 2022, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368416640 LenY=  5368273315
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8864883.
 Iteration    1 A*A^-1 deviation from unit magnitude is 2.89D-15 for   1697.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.93D-15 for   1466     11.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.66D-15 for   1700.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.85D-15 for   1718    554.
 E= -686.778207374511    
 DIIS: error= 2.40D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.778207374511     IErMin= 1 ErrMin= 2.40D-03
 ErrMax= 2.40D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-02 BMatP= 1.64D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.40D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.301 Goal=   None    Shift=    0.000
 GapD=    0.301 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.37D-03 MaxDP=3.15D-01              OVMax= 1.73D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.34D-03    CP:  1.04D+00
 E= -686.793383121928     Delta-E=       -0.015175747416 Rises=F Damp=F
 DIIS: error= 7.55D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.793383121928     IErMin= 2 ErrMin= 7.55D-04
 ErrMax= 7.55D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-03 BMatP= 1.64D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.55D-03
 Coeff-Com:  0.943D-01 0.906D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.936D-01 0.906D+00
 Gap=     0.291 Goal=   None    Shift=    0.000
 RMSDP=3.45D-04 MaxDP=1.54D-02 DE=-1.52D-02 OVMax= 8.10D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.83D-04    CP:  1.04D+00  1.03D+00
 E= -686.793001672708     Delta-E=        0.000381449220 Rises=F Damp=F
 DIIS: error= 9.38D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -686.793383121928     IErMin= 2 ErrMin= 7.55D-04
 ErrMax= 9.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-03 BMatP= 1.26D-03
 IDIUse=3 WtCom= 2.46D-01 WtEn= 7.54D-01
 Coeff-Com: -0.191D-01 0.557D+00 0.462D+00
 Coeff-En:   0.000D+00 0.572D+00 0.428D+00
 Coeff:     -0.470D-02 0.568D+00 0.436D+00
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=1.58D-04 MaxDP=7.82D-03 DE= 3.81D-04 OVMax= 4.43D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.26D-04    CP:  1.04D+00  1.04D+00  7.22D-01
 E= -686.794360527000     Delta-E=       -0.001358854293 Rises=F Damp=F
 DIIS: error= 1.17D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.794360527000     IErMin= 4 ErrMin= 1.17D-04
 ErrMax= 1.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-05 BMatP= 1.26D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.17D-03
 Coeff-Com: -0.117D-01 0.264D+00 0.215D+00 0.532D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.117D-01 0.264D+00 0.215D+00 0.533D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=3.70D-05 MaxDP=1.53D-03 DE=-1.36D-03 OVMax= 5.88D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.41D-05    CP:  1.04D+00  1.04D+00  7.11D-01  9.62D-01
 E= -686.794376652409     Delta-E=       -0.000016125409 Rises=F Damp=F
 DIIS: error= 2.35D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.794376652409     IErMin= 5 ErrMin= 2.35D-05
 ErrMax= 2.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.93D-07 BMatP= 1.73D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.133D-02 0.140D-01 0.117D-01 0.158D+00 0.817D+00
 Coeff:     -0.133D-02 0.140D-01 0.117D-01 0.158D+00 0.817D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=8.53D-06 MaxDP=3.76D-04 DE=-1.61D-05 OVMax= 1.39D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.94D-06    CP:  1.04D+00  1.04D+00  7.26D-01  9.96D-01  9.28D-01
 E= -686.794377244143     Delta-E=       -0.000000591734 Rises=F Damp=F
 DIIS: error= 5.41D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.794377244143     IErMin= 6 ErrMin= 5.41D-06
 ErrMax= 5.41D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.16D-08 BMatP= 5.93D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.452D-04-0.515D-02-0.411D-02 0.371D-01 0.322D+00 0.651D+00
 Coeff:     -0.452D-04-0.515D-02-0.411D-02 0.371D-01 0.322D+00 0.651D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.93D-06 MaxDP=6.07D-05 DE=-5.92D-07 OVMax= 3.83D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.41D-06    CP:  1.04D+00  1.04D+00  7.26D-01  1.00D+00  9.50D-01
                    CP:  8.21D-01
 E= -686.794377278823     Delta-E=       -0.000000034680 Rises=F Damp=F
 DIIS: error= 3.21D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.794377278823     IErMin= 7 ErrMin= 3.21D-06
 ErrMax= 3.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-08 BMatP= 5.16D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.118D-03-0.425D-02-0.349D-02 0.354D-02 0.959D-01 0.369D+00
 Coeff-Com:  0.539D+00
 Coeff:      0.118D-03-0.425D-02-0.349D-02 0.354D-02 0.959D-01 0.369D+00
 Coeff:      0.539D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=5.70D-07 MaxDP=2.30D-05 DE=-3.47D-08 OVMax= 1.63D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.82D-07    CP:  1.04D+00  1.04D+00  7.26D-01  1.00D+00  9.54D-01
                    CP:  8.37D-01  8.78D-01
 E= -686.794377288275     Delta-E=       -0.000000009452 Rises=F Damp=F
 DIIS: error= 4.94D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.794377288275     IErMin= 8 ErrMin= 4.94D-07
 ErrMax= 4.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.22D-10 BMatP= 1.29D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.495D-04-0.145D-02-0.122D-02-0.912D-03 0.214D-01 0.121D+00
 Coeff-Com:  0.234D+00 0.627D+00
 Coeff:      0.495D-04-0.145D-02-0.122D-02-0.912D-03 0.214D-01 0.121D+00
 Coeff:      0.234D+00 0.627D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.60D-07 MaxDP=4.61D-06 DE=-9.45D-09 OVMax= 3.85D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.33D-07    CP:  1.04D+00  1.04D+00  7.26D-01  1.00D+00  9.53D-01
                    CP:  8.46D-01  8.69D-01  9.13D-01
 E= -686.794377288642     Delta-E=       -0.000000000367 Rises=F Damp=F
 DIIS: error= 1.58D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.794377288642     IErMin= 9 ErrMin= 1.58D-07
 ErrMax= 1.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.59D-11 BMatP= 4.22D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.932D-05-0.165D-03-0.150D-03-0.918D-03-0.158D-02 0.121D-01
 Coeff-Com:  0.450D-01 0.304D+00 0.642D+00
 Coeff:      0.932D-05-0.165D-03-0.150D-03-0.918D-03-0.158D-02 0.121D-01
 Coeff:      0.450D-01 0.304D+00 0.642D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=5.20D-08 MaxDP=1.72D-06 DE=-3.67D-10 OVMax= 1.23D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.37D-08    CP:  1.04D+00  1.04D+00  7.27D-01  1.00D+00  9.53D-01
                    CP:  8.50D-01  8.75D-01  9.18D-01  8.69D-01
 E= -686.794377288685     Delta-E=       -0.000000000043 Rises=F Damp=F
 DIIS: error= 3.93D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.794377288685     IErMin=10 ErrMin= 3.93D-08
 ErrMax= 3.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.93D-12 BMatP= 5.59D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.796D-06 0.218D-04 0.149D-04-0.362D-03-0.217D-02-0.254D-02
 Coeff-Com:  0.490D-02 0.917D-01 0.275D+00 0.634D+00
 Coeff:      0.796D-06 0.218D-04 0.149D-04-0.362D-03-0.217D-02-0.254D-02
 Coeff:      0.490D-02 0.917D-01 0.275D+00 0.634D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.43D-08 MaxDP=4.33D-07 DE=-4.32D-11 OVMax= 3.77D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.93D-09    CP:  1.04D+00  1.04D+00  7.27D-01  1.00D+00  9.53D-01
                    CP:  8.49D-01  8.80D-01  9.26D-01  8.78D-01  8.53D-01
 E= -686.794377288642     Delta-E=        0.000000000043 Rises=F Damp=F
 DIIS: error= 1.78D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -686.794377288685     IErMin=11 ErrMin= 1.78D-08
 ErrMax= 1.78D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.49D-13 BMatP= 2.93D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.217D-06 0.254D-04 0.207D-04-0.138D-03-0.113D-02-0.256D-02
 Coeff-Com: -0.108D-02 0.279D-01 0.108D+00 0.388D+00 0.481D+00
 Coeff:     -0.217D-06 0.254D-04 0.207D-04-0.138D-03-0.113D-02-0.256D-02
 Coeff:     -0.108D-02 0.279D-01 0.108D+00 0.388D+00 0.481D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=4.03D-09 MaxDP=1.65D-07 DE= 4.30D-11 OVMax= 1.52D-07

 Error on total polarization charges =  0.01555
 SCF Done:  E(RB3LYP) =  -686.794377289     A.U. after   11 cycles
            NFock= 11  Conv=0.40D-08     -V/T= 2.0094
 KE= 6.804278225702D+02 PE=-3.273180963888D+03 EE= 1.073745562965D+03
 Leave Link  502 at Wed Mar 16 19:15:38 2022, MaxMem=  5368709120 cpu:             820.7 elap:             103.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.47551432D+02

 Leave Link  801 at Wed Mar 16 19:15:38 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=  78.3553, EpsInf=   1.7778)
 Inv3:  Mode=1 IEnd=     8864883.
 Iteration    1 A*A^-1 deviation from unit magnitude is 2.89D-15 for   1697.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.93D-15 for   1466     11.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.66D-15 for   1700.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.85D-15 for   1718    554.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7279 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 2.20D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 1.59D-01 5.33D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 4.13D-02 2.70D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 3.57D-03 9.06D-03.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 7.05D-04 3.02D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 3.72D-05 9.53D-04.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 8.33D-07 1.22D-04.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 3.06D-08 2.01D-05.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 7.05D-10 2.80D-06.
      8 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 1.02D-11 3.22D-07.
      2 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 1.13D-13 2.67D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.121367D+03
      2  0.155959D+01  0.114580D+03
      3 -0.158736D+01 -0.430204D+00  0.991577D+02
 Isotropic polarizability for W=    0.088559      111.70 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.207930D+02 -0.137825D+02  0.995007D+01
      2  -0.230967D+02  0.126451D+02  0.977177D+01
      3   0.230363D+01  0.113735D+01 -0.197218D+02
      4  -0.111676D+02 -0.652122D+01 -0.111228D+02
      5  -0.902370D+01 -0.101683D+02  0.313437D+02
      6  -0.840448D+01 -0.880012D+01 -0.194946D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.187967D+01 -0.979402D+01 -0.182272D+01
      2   0.119524D+02 -0.329143D+01  0.149013D+02
      3   0.189708D+01 -0.889477D+01  0.156150D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.954480D+00 -0.185719D+02  0.308681D+01
      2   0.189738D+02 -0.271830D+01  0.290401D+02
      3   0.261487D+01 -0.165754D+02  0.176382D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.626346D+00 -0.489350D+00  0.694121D+00
      2  -0.489350D+00  0.104101D+01  0.564481D-01
      3   0.694121D+00  0.564481D-01 -0.264921D+00
 OR G Eigenvalues:    -1.2423     0.2046     1.1875  Iso=    -0.0499
 Eigenvectors:
   (1)   0.796173   0.184879  -0.576131
   (2)   0.527619   0.253966   0.810629
   (3)  -0.296186   0.949379  -0.104655
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0499 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =      -14.05 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 3.98D+01
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     188
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.10D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 3.76D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 9.88D-02 2.84D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 2.23D-03 5.92D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 4.06D-05 4.52D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 3.06D-07 5.23D-05.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 1.13D-09 2.97D-06.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 3.29D-12 1.57D-07.
     10 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 9.77D-15 1.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   220 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.57D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.57D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.50D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.121367D+03  0.155959D+01 -0.158736D+01
      2   0.155959D+01  0.114580D+03 -0.430204D+00
      3  -0.158736D+01 -0.430204D+00  0.991577D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.187967D+01 -0.979402D+01 -0.182272D+01
      2   0.119524D+02 -0.329143D+01  0.149013D+02
      3   0.189708D+01 -0.889477D+01  0.156150D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.207930D+02 -0.137825D+02  0.995007D+01
      2  -0.230967D+02  0.126451D+02  0.977177D+01
      3   0.230363D+01  0.113735D+01 -0.197218D+02
      4  -0.111676D+02 -0.652122D+01 -0.111228D+02
      5  -0.902370D+01 -0.101683D+02  0.313437D+02
      6  -0.840448D+01 -0.880012D+01 -0.194946D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.423371D+01  0.465253D+00  0.133902D+00 -0.394887D+00  0.347339D+01
      2   0.465253D+00  0.420421D+01  0.209407D+00  0.347339D+01 -0.211598D+01
      3   0.133902D+00  0.209407D+00  0.138513D+01  0.645997D+00 -0.179513D+01
                 6             7             8             9            10 
      1   0.645997D+00 -0.382907D+00  0.553919D+00  0.205458D+01  0.608567D+01
      2  -0.179513D+01  0.553919D+00 -0.331427D+01 -0.199521D+01 -0.931325D+00
      3  -0.400513D+00  0.205458D+01 -0.199521D+01  0.106888D+02  0.354748D-01
                11            12            13            14            15 
      1  -0.931325D+00  0.354748D-01 -0.117918D+01 -0.332808D+01 -0.224365D+00
      2  -0.309129D+01 -0.263219D-01 -0.332808D+01 -0.445829D+00  0.109466D+01
      3  -0.263219D-01 -0.352413D+01 -0.224365D+00  0.109466D+01  0.216842D+01
                16            17            18            19            20 
      1   0.139058D+01 -0.485927D+00 -0.196507D+01  0.351152D+01 -0.563273D+00
      2  -0.485927D+00  0.207542D+01  0.143637D+01 -0.563273D+00 -0.362763D+01
      3  -0.196507D+01  0.143637D+01 -0.101248D+02  0.573884D-01  0.576654D+00
                21            22            23            24            25 
      1   0.573884D-01 -0.119183D+01 -0.470560D+01  0.281738D+00  0.916305D+00
      2   0.576654D+00 -0.470560D+01  0.822875D+00  0.198216D+01  0.809748D+00
      3  -0.119437D+01  0.281738D+00  0.198216D+01  0.203161D+01 -0.212093D+01
                26            27            28            29            30 
      1   0.809748D+00 -0.212093D+01 -0.172982D+01  0.256089D+01 -0.662682D+00
      2   0.293645D+01  0.123193D+01  0.256089D+01  0.348603D+01 -0.184862D+00
      3   0.123193D+01 -0.982649D+01 -0.662682D+00 -0.184862D+00  0.462424D+00
                31            32            33            34            35 
      1   0.304512D+01  0.459968D+01  0.100914D+01 -0.262121D+01  0.531781D+00
      2   0.459968D+01 -0.105274D+01 -0.204957D+01  0.531781D+00 -0.290539D+01
      3   0.100914D+01 -0.204957D+01 -0.227482D+01  0.367153D+00 -0.960966D+00
                36            37            38            39            40 
      1   0.367153D+00  0.617808D+01 -0.216638D+01 -0.441695D+00 -0.398991D+01
      2  -0.960966D+00 -0.216638D+01 -0.106302D-01 -0.350746D+00 -0.125924D+01
      3   0.966280D+01 -0.441695D+00 -0.350746D+00 -0.630403D+00 -0.382765D+00
                41            42            43            44            45 
      1  -0.125924D+01 -0.382765D+00  0.277610D+01  0.647665D+00  0.198553D+00
      2  -0.473600D+01  0.796230D+00  0.647665D+00  0.179358D+01 -0.622474D+00
      3   0.796230D+00  0.108086D+01  0.198553D+00 -0.622474D+00 -0.150820D+01
                46            47            48            49            50 
      1  -0.569674D+01 -0.651608D+00  0.492048D+00  0.162103D+01  0.322258D+01
      2  -0.651608D+00  0.981497D+00  0.711374D+00  0.322258D+01 -0.753007D+00
      3   0.492048D+00  0.711374D+00  0.198000D+01 -0.238821D+00 -0.123653D+01
                51            52            53            54            55 
      1  -0.238821D+00 -0.944584D+00 -0.932356D-02  0.243628D+01  0.620755D+01
      2  -0.123653D+01 -0.932356D-02 -0.229912D+01 -0.939952D+00 -0.393500D-01
      3  -0.305783D+01  0.243628D+01 -0.939952D+00  0.102169D+02  0.616757D+00
                56            57            58            59            60 
      1  -0.393500D-01  0.616757D+00  0.969753D+00 -0.178505D+01 -0.447179D+00
      2   0.692575D+00  0.288273D+00 -0.178505D+01  0.814103D+01  0.210624D+01
      3   0.288273D+00  0.843445D+00 -0.447179D+00  0.210624D+01 -0.201740D+00
                61            62            63            64            65 
      1   0.159411D+01 -0.979962D+00 -0.985703D+00 -0.159444D+00  0.466412D-01
      2  -0.979962D+00  0.344377D+01  0.236224D+01  0.466412D-01 -0.111613D+01
      3  -0.985703D+00  0.236224D+01  0.472057D+00 -0.136837D+01  0.185873D+00
                66            67            68            69            70 
      1  -0.136837D+01  0.325163D+00 -0.880021D+00  0.139766D+00 -0.246515D+01
      2   0.185873D+00 -0.880021D+00  0.913273D+00 -0.119423D+01  0.364654D+00
      3  -0.114228D+01  0.139766D+00 -0.119423D+01  0.962775D+00 -0.130122D+01
                71            72            73            74            75 
      1   0.364654D+00 -0.130122D+01 -0.824960D+01  0.272668D+01 -0.155346D+00
      2  -0.217538D+01  0.131215D+01  0.272668D+01  0.127225D+01 -0.748477D+00
      3   0.131215D+01 -0.912148D+01 -0.155346D+00 -0.748477D+00  0.144700D+01
                76            77            78            79            80 
      1   0.593337D+01  0.564095D+00 -0.845845D+00 -0.310435D+01 -0.804542D+00
      2   0.564095D+00  0.433531D+01 -0.123404D+01 -0.804542D+00 -0.182151D+01
      3  -0.845845D+00 -0.123404D+01  0.804391D+00 -0.112365D+01  0.374496D+00
                81            82            83            84            85 
      1  -0.112365D+01 -0.953381D-01  0.391205D-01  0.135882D+01 -0.180628D+00
      2   0.374496D+00  0.391205D-01  0.744009D+00 -0.404489D-01  0.735621D+00
      3   0.123140D-01  0.135882D+01 -0.404489D-01  0.112190D+01 -0.517951D-01
                86            87            88            89            90 
      1   0.735621D+00 -0.517951D-01  0.233074D+01  0.120054D+00  0.270831D+00
      2  -0.600975D+00  0.105885D+01  0.120054D+00  0.187332D+01 -0.893160D+00
      3   0.105885D+01 -0.121441D+01  0.270831D+00 -0.893160D+00  0.964124D+01
                91            92            93            94            95 
      1   0.540585D+00 -0.249454D+00  0.136122D+01 -0.346261D-01  0.115845D+01
      2  -0.249454D+00  0.122984D+01  0.393697D-02  0.115845D+01 -0.412504D+00
      3   0.136122D+01  0.393697D-02  0.102799D+01  0.349897D-01  0.991502D+00
                96            97            98            99           100 
      1   0.349897D-01  0.261335D+01 -0.249152D+00  0.148581D+01  0.461873D+01
      2   0.991502D+00 -0.249152D+00  0.208838D+01 -0.891557D-01  0.237697D+01
      3  -0.181166D+00  0.148581D+01 -0.891557D-01  0.878189D+01 -0.142687D+01
               101           102           103           104           105 
      1   0.237697D+01 -0.142687D+01  0.958581D+00  0.427364D+01 -0.325093D-01
      2   0.505116D+01  0.486439D-01  0.427364D+01 -0.888293D+00 -0.218835D+01
      3   0.486439D-01  0.584074D+00 -0.325093D-01 -0.218835D+01 -0.151094D+01
               106           107           108           109           110 
      1  -0.212880D+01 -0.740197D+00  0.175141D+01  0.255814D+01 -0.270408D+01
      2  -0.740197D+00 -0.441225D+01  0.925248D+00 -0.270408D+01 -0.321617D+01
      3   0.175141D+01  0.925248D+00 -0.705562D+00  0.197148D+01 -0.252477D+00
               111           112           113           114           115 
      1   0.197148D+01 -0.223617D+01 -0.542266D+01 -0.619672D+00  0.327803D+01
      2  -0.252477D+00 -0.542266D+01  0.121248D+01  0.468290D+01 -0.934902D+00
      3  -0.744326D+00 -0.619672D+00  0.468290D+01  0.248044D+01 -0.425969D+01
               116           117           118           119           120 
      1  -0.934902D+00 -0.425969D+01  0.480632D+00 -0.184480D+00 -0.157465D+01
      2   0.480280D+01  0.326583D+01 -0.184480D+00 -0.544960D+00  0.516118D-01
      3   0.326583D+01 -0.738976D+00 -0.157465D+01  0.516118D-01 -0.257880D+00
               121           122           123           124           125 
      1  -0.148585D+00 -0.502997D+00 -0.304978D+00 -0.231912D+01 -0.370280D+00
      2  -0.502997D+00  0.740871D+00 -0.120780D+01 -0.370280D+00 -0.170231D+01
      3  -0.304978D+00 -0.120780D+01  0.752952D+00  0.679057D+00  0.578544D+00
               126           127           128           129           130 
      1   0.679057D+00 -0.313274D+01 -0.227438D+01  0.993095D+00 -0.162214D+01
      2   0.578544D+00 -0.227438D+01 -0.376290D+01 -0.377605D+00 -0.292036D+01
      3  -0.104897D+02  0.993095D+00 -0.377605D+00 -0.366616D+00 -0.839446D-01
               131           132           133           134           135 
      1  -0.292036D+01 -0.839446D-01  0.226132D+01  0.548612D+00 -0.147137D+01
      2   0.210654D+01  0.279447D+01  0.548612D+00  0.607896D+01 -0.183047D+00
      3   0.279447D+01  0.192215D+01 -0.147137D+01 -0.183047D+00  0.936822D+00
               136           137           138           139           140 
      1  -0.526616D+00 -0.369078D-01 -0.166267D+01 -0.197858D-01 -0.751641D+00
      2  -0.369078D-01 -0.454960D+00 -0.369071D+00 -0.751641D+00  0.129005D+00
      3  -0.166267D+01 -0.369071D+00 -0.124620D+01  0.109776D+00 -0.107071D+01
               141           142           143           144           145 
      1   0.109776D+00 -0.294435D+01 -0.591204D+00 -0.188156D+01 -0.862509D+01
      2  -0.107071D+01 -0.591204D+00 -0.178972D+01 -0.420267D+00  0.301230D+01
      3   0.599791D+00 -0.188156D+01 -0.420267D+00 -0.968228D+01  0.628771D+00
               146           147           148           149           150 
      1   0.301230D+01  0.628771D+00  0.168583D+01 -0.127553D+01 -0.175784D+00
      2  -0.365050D+01 -0.632329D+00 -0.127553D+01  0.126363D+01  0.284528D-01
      3  -0.632329D+00 -0.158220D+01 -0.175784D+00  0.284528D-01  0.684104D+00
               151           152           153           154           155 
      1  -0.195750D+00 -0.899608D-02 -0.545659D+00 -0.537681D+01 -0.253546D+01
      2  -0.899608D-02 -0.113191D+00  0.397954D+00 -0.253546D+01 -0.260832D+01
      3  -0.545659D+00  0.397954D+00  0.500277D+00  0.723995D+00  0.550163D+00
               156           157           158           159           160 
      1   0.723995D+00 -0.511081D+01 -0.278522D+01  0.783427D+00  0.188249D+01
      2   0.550163D+00 -0.278522D+01 -0.385199D+01  0.830834D+00  0.103396D+01
      3  -0.141604D+01  0.783427D+00  0.830834D+00 -0.113668D+01 -0.102809D+01
               161           162           163           164           165 
      1   0.103396D+01 -0.102809D+01 -0.886874D+00  0.635392D+00  0.401788D+00
      2   0.131278D+01 -0.582909D+00  0.635392D+00 -0.220680D+01 -0.247223D+00
      3  -0.582909D+00  0.583020D+00  0.401788D+00 -0.247223D+00 -0.283559D+00
               166           167           168           169           170 
      1   0.197206D+01 -0.105218D+00 -0.275833D+00  0.768578D+00 -0.114225D+00
      2  -0.105218D+00  0.895804D+01  0.863834D+00 -0.114225D+00  0.238304D+01
      3  -0.275833D+00  0.863834D+00  0.178154D+01 -0.144536D+00  0.971328D+00
               171           172           173           174           175 
      1  -0.144536D+00  0.425741D+01  0.104428D+01  0.176270D+01  0.228572D+01
      2   0.971328D+00  0.104428D+01  0.247614D+01 -0.127145D+01  0.237024D+01
      3   0.318299D+00  0.176270D+01 -0.127145D+01  0.244444D+01 -0.668660D+00
               176           177           178           179           180 
      1   0.237024D+01 -0.668660D+00  0.139532D+01 -0.812988D+00  0.414011D+01
      2   0.195233D+01  0.519172D-01 -0.812988D+00 -0.814044D+00 -0.110114D+01
      3   0.519172D-01  0.168361D+01  0.414011D+01 -0.110114D+01  0.409748D+01
               181           182           183           184           185 
      1   0.485153D+01  0.280569D+01 -0.135069D+01  0.460740D+01  0.292103D+01
      2   0.280569D+01  0.240191D+01 -0.488452D+00  0.292103D+01  0.426359D+01
      3  -0.135069D+01 -0.488452D+00  0.130599D+01 -0.753907D+00 -0.167704D+01
               186           187           188           189           190 
      1  -0.753907D+00 -0.169839D+01 -0.447128D+00  0.157682D+01  0.213874D+01
      2  -0.167704D+01 -0.447128D+00 -0.137825D+01  0.890321D+00 -0.159411D+01
      3   0.142677D+01  0.157682D+01  0.890321D+00 -0.910959D+00 -0.178553D+01
               191           192           193           194           195 
      1  -0.159411D+01 -0.178553D+01 -0.314352D+01  0.359024D+01  0.159993D+01
      2   0.175893D+01  0.788668D+00  0.359024D+01 -0.610342D+01 -0.337100D+01
      3   0.788668D+00  0.120148D+01  0.159993D+01 -0.337100D+01 -0.372857D+01
               196           197           198           199           200 
      1  -0.261215D+01  0.154490D+01  0.219538D+01  0.937552D-02 -0.678479D+00
      2   0.154490D+01 -0.307847D+01 -0.296651D+01 -0.678479D+00  0.202235D+01
      3   0.219538D+01 -0.296651D+01 -0.404755D+01 -0.295139D+00  0.522788D+00
               201           202           203           204           205 
      1  -0.295139D+00 -0.153458D+01 -0.147271D+00  0.166783D+00 -0.784504D+00
      2   0.522788D+00 -0.147271D+00 -0.104141D+02 -0.201355D+01  0.706615D-02
      3   0.368568D+00  0.166783D+00 -0.201355D+01 -0.212278D+01  0.986569D-01
               206           207           208           209           210 
      1   0.706615D-02  0.986569D-01 -0.272518D+01 -0.110392D+01  0.186188D+00
      2  -0.480646D+01 -0.195598D+01 -0.110392D+01 -0.203060D+01  0.105206D+01
      3  -0.195598D+01 -0.109750D+01  0.186188D+00  0.105206D+01 -0.178444D+01
               211           212           213           214           215 
      1  -0.261739D+01 -0.104008D+01  0.334513D+00  0.994353D+00  0.386472D+00
      2  -0.104008D+01 -0.346414D+01  0.175592D+01  0.386472D+00  0.182186D+01
      3   0.334513D+00  0.175592D+01 -0.254995D+01 -0.427171D+00 -0.103564D+01
               216 
      1  -0.427171D+00
      2  -0.103564D+01
      3   0.234158D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.991426D-01  0.221964D+00 -0.294317D+01 -0.984654D+00  0.635805D+00
      2  -0.250543D+00 -0.356376D+00 -0.347281D+00  0.671534D+00  0.202620D+01
      3  -0.226158D+01 -0.355727D+00 -0.596343D-01  0.474667D+01  0.162331D+01
                 6             7             8             9            10 
      1   0.195981D+01 -0.174538D+01  0.474358D+01 -0.862730D+01 -0.522327D+00
      2   0.156790D+01 -0.403619D+01  0.854386D+00 -0.632296D+01 -0.169800D+01
      3  -0.587578D+00  0.200307D+00 -0.214509D+01  0.413371D+00 -0.243893D+01
                11            12            13            14            15 
      1  -0.162837D+01 -0.899043D+00  0.492459D+00  0.276977D+00 -0.200004D+01
      2  -0.105517D+01  0.283106D+01 -0.306999D+00 -0.170022D+01 -0.346625D+01
      3  -0.553341D+01  0.167752D-01  0.948515D-01  0.302447D+00  0.184088D+01
                16            17            18            19            20 
      1  -0.117331D+01  0.384559D+01 -0.166178D+01  0.300111D+00 -0.327748D+00
      2  -0.678392D+00 -0.201319D+01  0.132062D+02 -0.271532D+00  0.109544D+01
      3  -0.603450D+00  0.266816D+01  0.257324D+01  0.279850D+01 -0.803493D+00
                21            22            23            24            25 
      1   0.330564D+01 -0.108672D+00 -0.201449D+01 -0.197145D+01  0.307748D+01
      2   0.722057D+00 -0.157695D+01  0.908329D+00 -0.796265D+00 -0.438126D+01
      3  -0.548518D+00  0.463038D+01 -0.530766D+01 -0.272200D+01  0.205590D+00
                26            27            28            29            30 
      1   0.158656D+01  0.749191D+01 -0.232819D+01 -0.898027D+00  0.153311D+01
      2   0.491950D+00 -0.392022D+01 -0.716445D+01  0.374905D+01 -0.826190D+00
      3  -0.113352D+01 -0.314776D+01 -0.794841D+01 -0.969164D+01 -0.614311D+00
                31            32            33            34            35 
      1  -0.928084D+00  0.288935D+00  0.256123D+01  0.262299D+00  0.435445D+01
      2   0.259734D+01 -0.122436D+01 -0.457244D+01 -0.501023D+01  0.340362D-01
      3  -0.714579D+01  0.135394D+01  0.374336D+01  0.410901D+00  0.339994D+01
                36            37            38            39            40 
      1  -0.516775D+00  0.150954D+01  0.198996D-01 -0.236268D+01  0.149634D+01
      2   0.138117D+02  0.404433D+01 -0.783965D+00  0.112217D+02 -0.225691D+01
      3   0.233173D+01 -0.815708D+01 -0.529431D+01  0.212059D+00  0.169295D+02
                41            42            43            44            45 
      1   0.275691D+01 -0.692844D+01  0.199897D+01  0.286693D+01  0.828213D+00
      2  -0.133411D+01  0.196668D+01 -0.587707D+01 -0.139469D+01 -0.693669D-01
      3   0.577815D+01 -0.347914D+00 -0.311727D+01 -0.156491D+01 -0.267415D+00
                46            47            48            49            50 
      1   0.901893D+00 -0.693225D+00  0.287151D+01 -0.992931D+00 -0.294212D+01
      2  -0.340409D+01 -0.147061D+01 -0.743805D+01 -0.188284D+00  0.293370D+01
      3   0.666208D+01  0.529616D+01 -0.250839D+00  0.202858D+01 -0.105140D+01
                51            52            53            54            55 
      1  -0.432128D+00  0.810937D+00  0.105714D+01  0.100710D+02 -0.126671D+01
      2   0.182001D+01 -0.658249D+01 -0.703622D+00 -0.110050D+02 -0.641750D+01
      3  -0.232005D+01  0.798157D+00 -0.161486D+01 -0.398759D+01  0.189060D+02
                56            57            58            59            60 
      1   0.313159D+00 -0.573041D+00  0.186817D+01 -0.245079D+01 -0.730420D+01
      2   0.256667D+01  0.225805D+01  0.580281D+00 -0.281105D+01 -0.166752D+01
      3  -0.329431D+01  0.662601D-02  0.632537D+01  0.724522D+01  0.105573D+01
                61            62            63            64            65 
      1   0.822195D+00  0.945683D+00 -0.339492D+01  0.138758D+01  0.399676D+00
      2  -0.410219D+01 -0.185855D+01 -0.167929D+01  0.101677D+01 -0.436133D+00
      3   0.347469D+01  0.311819D+01  0.108698D+01 -0.217651D+00 -0.189567D+01
                66            67            68            69            70 
      1   0.940500D+00  0.575103D-01  0.148725D+01 -0.153867D+01  0.107331D+01
      2   0.205588D+01  0.192336D-01  0.536436D+00 -0.347956D+00 -0.344053D+01
      3  -0.123613D+01  0.893138D+00 -0.240588D+00 -0.868537D+00 -0.295310D+01
                71            72            73            74            75 
      1   0.351871D+01  0.104092D+02  0.652984D+00 -0.969936D-01  0.748924D+00
      2  -0.621629D+00  0.740980D+01  0.452448D+01  0.267566D+01  0.522398D+01
      3  -0.185970D+01 -0.168565D+00  0.108341D+02 -0.281699D+01 -0.268442D+01
                76            77            78            79            80 
      1  -0.144889D+01  0.109244D+01 -0.237381D+01  0.947756D+00  0.334156D+01
      2   0.240987D+01  0.337446D+01 -0.375479D+01 -0.216462D+01 -0.176323D+01
      3   0.838304D+01  0.179374D+02 -0.319127D+01 -0.245249D+01 -0.629617D+01
                81            82            83            84            85 
      1  -0.421335D-01  0.285010D+00  0.937528D+00  0.288079D+00  0.493457D+00
      2   0.239770D+01 -0.311927D+01  0.142806D+00 -0.135009D+01  0.659649D+00
      3   0.139888D+01  0.634048D-01 -0.105548D+00 -0.268232D+00  0.199264D+01
                86            87            88            89            90 
      1  -0.344475D+00 -0.157792D+01  0.212633D+00  0.404765D+01  0.120076D+01
      2  -0.181157D+01  0.163593D+01 -0.533105D+01  0.110106D+01 -0.137823D+02
      3  -0.757937D+00  0.158803D+01 -0.490059D+00  0.248040D+01 -0.748594D+00
                91            92            93            94            95 
      1  -0.204783D+01  0.895787D+00 -0.127706D+01  0.455410D+00 -0.152276D+01
      2   0.198272D+00  0.554687D+00  0.846569D+00  0.988068D+00  0.118576D+00
      3   0.125535D+01 -0.226794D+01  0.147099D+01  0.226983D+00  0.101520D+01
                96            97            98            99           100 
      1  -0.209139D+00 -0.213760D+01  0.434284D+01 -0.896696D+01  0.225078D+01
      2   0.135069D+00 -0.392302D+01  0.315651D+00  0.487919D+01 -0.172392D+00
      3  -0.695060D+00  0.275760D+01 -0.209619D+01  0.150370D+01  0.884363D+01
               101           102           103           104           105 
      1  -0.237013D+01 -0.410486D+01 -0.100373D+01  0.795108D+01 -0.186334D+01
      2  -0.289022D+00  0.530915D+01  0.138904D+01 -0.140093D+01  0.139964D+01
      3  -0.107192D+02 -0.253186D+01  0.127764D+00  0.107018D+02  0.356071D+01
               106           107           108           109           110 
      1  -0.294146D+01  0.543101D+01  0.390360D+01  0.359528D+01  0.141988D+01
      2  -0.186037D+01  0.908046D+00 -0.181880D+01  0.102844D+02 -0.377673D+01
      3  -0.538917D+01  0.562239D+01  0.216185D+01  0.786124D+01  0.945546D+01
               111           112           113           114           115 
      1  -0.121122D+01  0.191270D+01  0.228034D+01 -0.394191D+01 -0.157103D+01
      2   0.790349D+00 -0.432752D+01  0.100749D+02  0.733036D+01 -0.928598D+01
      3  -0.335645D+00  0.204858D+02 -0.979664D-01 -0.116032D+02  0.730930D+00
               116           117           118           119           120 
      1  -0.326704D+01 -0.290046D+01 -0.476135D-01  0.116979D+01  0.364287D+00
      2   0.778736D+01 -0.498696D+01 -0.272460D+01 -0.318018D+00 -0.437142D+00
      3  -0.112816D+02 -0.640790D+01  0.282986D+00  0.123786D+00  0.320205D+00
               121           122           123           124           125 
      1   0.228898D+00 -0.156334D+01 -0.811255D-01  0.325725D+00  0.515232D+01
      2  -0.748779D-01 -0.235151D+01  0.108117D+01 -0.587362D+01  0.528006D+00
      3   0.255074D+01 -0.182251D+01  0.188305D+01  0.637654D+00  0.270249D+01
               126           127           128           129           130 
      1  -0.136741D+01  0.171835D+01 -0.652177D+00 -0.344892D+01  0.760349D+00
      2  -0.142655D+02 -0.261838D+01 -0.863920D-01  0.529047D+01  0.673357D+00
      3  -0.206245D+01  0.578206D+01 -0.802797D+01 -0.276355D+01  0.442554D+01
               131           132           133           134           135 
      1   0.117657D+02 -0.247086D+01 -0.202776D+01  0.628232D+01  0.592274D+01
      2  -0.477955D+01  0.272807D+00 -0.813904D+00  0.269380D+00 -0.279923D+01
      3   0.935931D+01  0.501372D+01 -0.610672D+01  0.942373D+01  0.326639D+01
               136           137           138           139           140 
      1  -0.215204D+01  0.119450D+00 -0.117103D+01  0.659796D+00 -0.183066D+01
      2   0.132470D+01  0.597771D+00  0.183479D+01  0.772129D+00  0.800652D+00
      3   0.109857D+01 -0.205790D+01  0.200282D+01  0.352341D-01  0.176091D+01
               141           142           143           144           145 
      1   0.541755D+00 -0.116898D+01  0.538733D+01 -0.104273D+02 -0.133552D+00
      2  -0.124809D+01 -0.368279D+01 -0.150418D+00  0.107271D+02  0.525680D+01
      3  -0.120622D+01  0.360634D+01 -0.198265D+01  0.290407D+01 -0.208353D+02
               146           147           148           149           150 
      1  -0.337662D+00  0.356348D+01  0.749607D-02  0.171770D+00 -0.113250D+01
      2  -0.102839D+01  0.313689D+01 -0.806762D+00  0.647070D+00 -0.103460D+01
      3  -0.297378D+00  0.666312D+00  0.198918D+01 -0.224185D+01 -0.650268D+00
               151           152           153           154           155 
      1   0.124163D+01 -0.156014D+00 -0.805822D+00  0.157669D-01  0.103610D+00
      2   0.486820D+00 -0.653698D+00 -0.348682D+00 -0.227039D+01 -0.184528D+01
      3  -0.940533D+00 -0.508747D+00 -0.671211D+00 -0.809075D+01 -0.917520D+01
               156           157           158           159           160 
      1  -0.786586D+00  0.410653D+00 -0.869244D+00 -0.917333D+00 -0.278238D+00
      2   0.442227D+01 -0.262843D+01 -0.286262D+01  0.425981D+01  0.222557D+01
      3   0.195559D+01 -0.811037D+01 -0.155358D+02  0.279346D+01  0.327533D+01
               161           162           163           164           165 
      1   0.683434D+00  0.383575D+00 -0.173259D+01  0.240201D+01  0.166907D+01
      2   0.191888D+01 -0.160251D+01  0.259112D+00 -0.139556D+00 -0.571631D+00
      3   0.462788D+01 -0.176522D+01 -0.553085D+01  0.558140D+01  0.204354D+01
               166           167           168           169           170 
      1   0.135859D+01 -0.755341D+01 -0.589301D+01  0.808480D+00 -0.319031D+01
      2  -0.446096D-01  0.803469D+00  0.151502D+01 -0.106413D+01  0.998560D+00
      3   0.721907D+01 -0.151413D+02 -0.257331D+01  0.328476D+01 -0.447281D+01
               171           172           173           174           175 
      1  -0.172266D+01  0.290390D+01  0.314209D+01  0.191373D+01  0.148593D+01
      2   0.458310D+00 -0.590398D+00 -0.645223D+01  0.131411D+02 -0.509158D+01
      3  -0.200592D+01 -0.900907D+01 -0.117846D+02  0.296784D+01 -0.716718D+01
               176           177           178           179           180 
      1   0.389302D+01 -0.403599D+01  0.581482D+00  0.563288D+01  0.562063D+01
      2  -0.245340D+01  0.456336D+01  0.470674D+01 -0.517369D+00  0.143176D+02
      3  -0.669445D+01  0.381113D+00  0.173779D+01  0.127691D+01 -0.928446D-01
               181           182           183           184           185 
      1  -0.237636D+01 -0.191237D+01 -0.399689D+00 -0.210832D+01 -0.372544D+01
      2  -0.937841D+00  0.347127D-01  0.449375D+01  0.113466D+01 -0.325317D+01
      3  -0.922847D+01 -0.973132D+01  0.211524D+01 -0.831120D+01 -0.161719D+02
               186           187           188           189           190 
      1   0.483166D-01  0.427266D+00  0.258279D+01 -0.724368D+00  0.660200D-01
      2   0.487243D+01  0.209588D+01  0.233843D+01 -0.149639D+01 -0.341152D+01
      3   0.522111D+01  0.166290D+01  0.452325D+01 -0.319935D+01  0.246834D+01
               191           192           193           194           195 
      1  -0.117650D+01  0.994551D+00 -0.139537D+01  0.327482D+01 -0.270266D+01
      2   0.145695D+01  0.321386D+01  0.109787D+01 -0.687784D+01 -0.105634D+02
      3  -0.533530D+01 -0.120466D+01 -0.485101D+01  0.150477D+02  0.797567D+01
               196           197           198           199           200 
      1   0.498575D+00  0.170388D+01 -0.173412D+01 -0.366059D+00  0.204882D+01
      2   0.219707D+01 -0.716154D+01 -0.102498D+02  0.875473D+00 -0.521075D+00
      3  -0.154318D+01  0.768314D+01  0.674950D+01 -0.236451D+01  0.422196D+01
               201           202           203           204           205 
      1   0.169157D+01  0.574462D+00 -0.748006D+01 -0.678837D+01  0.422383D+00
      2  -0.308140D+00 -0.743999D+00  0.282959D+01  0.271348D+01 -0.982615D+00
      3   0.167577D+01  0.516519D+01 -0.164383D+02 -0.404552D+01  0.270014D+01
               206           207           208           209           210 
      1  -0.567437D+01 -0.364207D+01 -0.251480D+01 -0.310045D+01 -0.707147D+00
      2   0.261709D+01  0.140976D+01  0.647227D+01  0.546994D+01 -0.593416D+01
      3  -0.767545D+01 -0.356373D+01  0.844702D+01  0.721793D+01 -0.274104D+01
               211           212           213           214           215 
      1  -0.249727D+01 -0.336299D+01 -0.527512D+00  0.312000D+00  0.207238D+01
      2   0.505389D+01  0.780693D+01 -0.768237D+01 -0.330641D+01 -0.410378D+01
      3   0.802061D+01  0.101551D+02 -0.503885D+01 -0.188711D+01 -0.489475D+01
               216 
      1   0.487494D+00
      2   0.652253D+01
      3   0.369885D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.679680D+01 -0.785015D+01 -0.763405D+00 -0.417880D+01  0.821825D+01
      2  -0.270822D+01  0.121485D+02 -0.246203D-01  0.762450D+01 -0.181494D+02
      3  -0.408859D+01 -0.429835D+01  0.788025D+00 -0.344570D+01  0.993119D+01
      4  -0.148045D+01 -0.714870D+01  0.313299D-02 -0.121928D+02  0.107199D+02
      5   0.168685D+01 -0.205291D+01 -0.485223D+01 -0.473871D+01  0.142519D+01
      6   0.176454D+01  0.274521D+01  0.747538D+01  0.307085D+01 -0.871185D+01
                 6             7             8             9            10 
      1   0.429948D+01  0.181108D+01  0.495598D+01  0.838850D+01 -0.339899D+02
      2  -0.143074D+01  0.317797D+01 -0.135305D+02  0.524016D+01  0.189495D+02
      3  -0.286874D+01 -0.498905D+01  0.857452D+01 -0.136287D+02  0.150404D+02
      4   0.243299D+01 -0.268861D+01  0.705260D+01  0.728428D+01  0.479627D+01
      5   0.446796D+01 -0.453479D+01  0.441383D+01 -0.200204D+02 -0.141059D+01
      6  -0.107799D+02  0.593628D+01 -0.708086D+01  0.246557D+02 -0.473735D+00
                11            12            13            14            15 
      1  -0.126886D+01  0.347032D+01  0.301629D+01  0.973067D+01 -0.561299D+00
      2   0.368263D+01  0.223489D+01 -0.179439D+01 -0.300701D+01 -0.128569D+01
      3  -0.241377D+01 -0.570521D+01 -0.122190D+01 -0.672366D+01  0.184699D+01
      4  -0.137512D+01 -0.221501D+00  0.873605D+01  0.448141D+00 -0.252180D+01
      5  -0.444059D+00 -0.169711D+01  0.128807D+01 -0.149606D+01 -0.649608D+01
      6  -0.125259D+00  0.246916D+01 -0.128886D+01  0.256969D+00 -0.141992D+00
                16            17            18            19            20 
      1  -0.509216D+01  0.176716D+01  0.175190D+02 -0.344234D+01  0.619269D+01
      2   0.350937D+01 -0.512983D+01  0.456868D+01  0.102911D+01 -0.120570D+02
      3   0.158279D+01  0.336267D+01 -0.220877D+02  0.241323D+01  0.586434D+01
      4   0.281555D+01 -0.352084D+01 -0.360748D+01 -0.278408D+01 -0.100839D+02
      5   0.637632D+01 -0.389430D+01  0.277247D+02  0.131661D+01  0.360332D+01
      6   0.842940D+00 -0.407956D+00  0.661779D+01 -0.563806D+00  0.430437D+01
                21            22            23            24            25 
      1  -0.215142D+01  0.145616D+01 -0.232397D+01 -0.478586D+01  0.251610D+01
      2   0.495301D+00 -0.778174D+01 -0.220039D+01  0.268977D+01  0.418623D+01
      3   0.165612D+01  0.632558D+01  0.452436D+01  0.209609D+01 -0.670233D+01
      4   0.122570D+01 -0.157882D+02 -0.822203D+01  0.176877D+01  0.491049D+01
      5  -0.597483D+01  0.261986D+01  0.395815D+01 -0.948844D+00 -0.381530D+01
      6  -0.789784D+01  0.316245D+01  0.619533D+01 -0.406971D+01 -0.474675D+01
                26            27            28            29            30 
      1  -0.142972D+01  0.439906D+00 -0.183183D+02  0.941502D+01 -0.161094D+01
      2   0.635642D+01  0.911729D+01  0.885523D+01 -0.106098D+02  0.116866D+01
      3  -0.492670D+01 -0.955719D+01  0.946308D+01  0.119479D+01  0.442275D+00
      4   0.744067D+01 -0.198225D+01 -0.218392D+01 -0.230929D+01 -0.421185D+00
      5   0.652609D+00 -0.134748D+02 -0.210611D+01 -0.112177D+01 -0.318830D+01
      6   0.331152D+00 -0.193417D+02 -0.117143D-01 -0.247983D+01 -0.195894D+01
                31            32            33            34            35 
      1   0.391013D+01  0.154363D+02 -0.394619D+01 -0.590853D+01 -0.106394D+01
      2  -0.270453D+01 -0.155342D+02 -0.474916D+01  0.216650D+01 -0.101195D+01
      3  -0.120560D+01  0.979341D-01  0.869535D+01  0.374203D+01  0.207589D+01
      4  -0.487157D+01 -0.956370D+01 -0.567254D+01  0.458909D+01 -0.278493D+01
      5   0.215023D+01 -0.832375D+01 -0.103425D+02 -0.785516D-01 -0.325805D+01
      6  -0.461514D+01  0.384234D+01 -0.358740D+01 -0.174686D+01  0.794690D+00
                36            37            38            39            40 
      1   0.210929D+02  0.175557D+02 -0.231016D+01  0.222404D+01 -0.784151D+00
      2   0.162020D+02 -0.107908D+02  0.195885D+01 -0.171338D+01  0.164353D+01
      3  -0.372949D+02 -0.676498D+01  0.351308D+00 -0.510656D+00 -0.859383D+00
      4  -0.367834D+01 -0.870245D+01  0.185978D+02  0.139303D+00  0.172012D+02
      5   0.248427D+02  0.259759D+01  0.481252D+00  0.221042D+02 -0.188515D+01
      6   0.125767D+01  0.175838D+01  0.267701D+00  0.657811D+01  0.122674D+01
                41            42            43            44            45 
      1  -0.167113D+02  0.354259D+01  0.401723D+01  0.257277D+01 -0.714822D+01
      2   0.240746D+02  0.193809D+01 -0.458515D+01 -0.352129D+01 -0.482949D+01
      3  -0.736330D+01 -0.548068D+01  0.567924D+00  0.948518D+00  0.119777D+02
      4  -0.279370D+00  0.726868D+00 -0.625341D+01 -0.765190D+00 -0.209941D+01
      5   0.180904D+01  0.355734D+01  0.698584D+01 -0.166048D+01  0.108921D+01
      6  -0.373279D+00  0.947613D+01 -0.140750D+01  0.702353D+01  0.243820D+00
                46            47            48            49            50 
      1  -0.156443D+02  0.455538D+01  0.259463D+01 -0.449857D+01 -0.189705D+01
      2   0.130657D+02 -0.657810D+01  0.133695D+01 -0.439180D+01 -0.678635D+01
      3   0.257860D+01  0.202272D+01 -0.393158D+01  0.889037D+01  0.868340D+01
      4   0.548950D+01 -0.191187D+02 -0.229718D+01 -0.204410D+02 -0.111154D+02
      5   0.891407D+00 -0.194431D+00 -0.212583D+02  0.232784D+01  0.180891D+01
      6  -0.114628D+01  0.165766D+01 -0.102679D+02  0.304987D+00  0.582205D+01
                51            52            53            54            55 
      1  -0.489857D+01  0.514734D+01 -0.456371D+01  0.689550D+01 -0.163012D+02
      2  -0.131163D+01  0.356972D+01  0.736654D+01  0.199230D+02  0.688830D+01
      3   0.621020D+01 -0.871706D+01 -0.280283D+01 -0.268185D+02  0.941285D+01
      4   0.249819D+01  0.216324D+01  0.552469D+01 -0.973663D+00  0.253464D+02
      5   0.263188D+01 -0.901107D+01  0.679199D+00 -0.255310D+02  0.110987D+01
      6  -0.520265D+01 -0.478218D+01  0.749474D+00 -0.232102D+02  0.286431D+01
                56            57            58            59            60 
      1   0.360709D+01 -0.672320D+00  0.370807D+01 -0.293816D+02 -0.854274D+01
      2  -0.195605D+01  0.240711D+01 -0.730103D+01  0.489737D+02  0.598253D+01
      3  -0.165104D+01 -0.173479D+01  0.359297D+01 -0.195921D+02  0.256021D+01
      4   0.291245D+01  0.123421D+01  0.135250D+02 -0.238144D+02 -0.550209D+01
      5  -0.510599D+00  0.545079D+01  0.271279D+01 -0.395431D+01 -0.213030D+01
      6  -0.521189D+00  0.172311D+00 -0.280376D+01  0.143821D+02  0.153003D+02
                61            62            63            64            65 
      1  -0.175401D+01 -0.107845D+02 -0.116776D+02  0.127145D+01  0.105050D+01
      2  -0.111235D+01  0.153357D+02  0.219490D+01 -0.368274D+01 -0.187582D+01
      3   0.286636D+01 -0.455120D+01  0.948274D+01  0.241129D+01  0.825325D+00
      4   0.790905D+01 -0.104284D+02 -0.670760D+01 -0.171207D+01  0.419989D+01
      5   0.786339D+01 -0.610016D+01 -0.387540D+01  0.481654D+01 -0.126893D+01
      6  -0.430628D+01  0.188469D+02  0.865847D+01 -0.410256D+01  0.497683D+00
                66            67            68            69            70 
      1   0.194077D+01  0.108954D+01 -0.421276D+01  0.339404D+01  0.172741D+01
      2  -0.297463D+01 -0.178468D+01  0.335369D+01 -0.306927D+01 -0.314834D+01
      3   0.103386D+01  0.695143D+00  0.859062D+00 -0.324763D+00  0.142093D+01
      4  -0.365538D+01  0.389427D+01 -0.313231D+01  0.297001D+01 -0.559214D+01
      5   0.968613D+01 -0.260927D+00  0.282760D+01 -0.185734D+01  0.777845D+01
      6  -0.281423D+01  0.105086D+01 -0.444873D+01  0.896596D+01 -0.415230D+01
                71            72            73            74            75 
      1   0.497080D+01 -0.144828D+02  0.560742D+02 -0.163275D+02  0.223696D+01
      2  -0.432089D+01 -0.134036D+02 -0.339052D+02  0.780179D+01 -0.253341D+01
      3  -0.649903D+00  0.278863D+02 -0.221690D+02  0.852573D+01  0.296456D+00
      4   0.488295D+01 -0.474782D+01 -0.197331D+02  0.412292D+01  0.388011D+01
      5  -0.301764D+01  0.211049D+02  0.579979D+01  0.491877D+01  0.111820D+02
      6   0.843212D+01 -0.270243D+02  0.770653D+00  0.619927D+00 -0.188971D+01
                76            77            78            79            80 
      1  -0.337309D+02 -0.987428D+01  0.442983D+01  0.181832D+02  0.434242D+01
      2   0.182869D+02  0.912722D+01 -0.238660D+01 -0.995852D+01 -0.194434D+01
      3   0.154440D+02  0.747055D+00 -0.204323D+01 -0.822466D+01 -0.239809D+01
      4  -0.197467D+01 -0.242025D+02  0.714729D+01  0.418026D+01  0.925849D+01
      5   0.587044D+01  0.816565D+01 -0.578107D+01  0.129322D+02 -0.354316D+01
      6   0.207110D+01  0.219947D+01  0.550165D+01 -0.101308D+01  0.393105D+01
                81            82            83            84            85 
      1   0.148915D+01  0.519859D+00  0.330412D+00 -0.651557D+01  0.801144D+00
      2  -0.788737D+01 -0.377432D+01 -0.102958D+00  0.825283D+00 -0.388828D+00
      3   0.639821D+01  0.325446D+01 -0.227454D+00  0.569028D+01 -0.412316D+00
      4  -0.330056D+01 -0.307766D+00  0.292518D+00 -0.252113D+00  0.157445D+00
      5   0.351045D+01 -0.218114D+01 -0.345680D+00  0.349683D+01 -0.234579D+00
      6   0.682814D+00 -0.885888D+00  0.577286D+00 -0.747993D+00  0.336408D+00
                86            87            88            89            90 
      1  -0.576230D+01  0.238053D+01 -0.923171D+01  0.199236D+01 -0.210000D+02
      2   0.113302D+01  0.144787D+00  0.379083D+01  0.759061D+00 -0.160794D+02
      3   0.462928D+01 -0.252532D+01  0.544088D+01 -0.275142D+01  0.370794D+02
      4   0.164832D+01 -0.255528D+01 -0.101367D+01 -0.454966D+01  0.207394D+01
      5  -0.292407D+01  0.276241D+01  0.447042D+01  0.265461D+01 -0.254160D+02
      6  -0.196095D+01  0.846327D+01 -0.281882D+00  0.526196D+01 -0.591825D+01
                91            92            93            94            95 
      1   0.254524D+01 -0.244343D+01  0.202079D+01 -0.199608D+01 -0.576679D+00
      2  -0.406463D+01  0.326626D+01 -0.189972D+01  0.249621D+01 -0.126396D+01
      3   0.151939D+01 -0.822832D+00 -0.121071D+00 -0.500134D+00  0.184064D+01
      4   0.494827D+00  0.370164D+01  0.144444D+01  0.415258D+01  0.624154D+00
      5   0.410334D+01 -0.808379D+00  0.719535D+01 -0.365417D+00  0.245818D+01
      6   0.234779D+01 -0.222974D-01  0.234050D+01  0.536300D+00  0.145043D+01
                96            97            98            99           100 
      1  -0.158466D+01  0.217100D+01 -0.346666D+01 -0.108838D+02  0.146653D+02
      2   0.236645D+01 -0.413550D+01  0.574607D+01 -0.153226D+02 -0.331250D+01
      3  -0.781799D+00  0.196450D+01 -0.227941D+01  0.262064D+02 -0.113528D+02
      4   0.283881D+01  0.316614D+01  0.398951D+01  0.138336D+01  0.224507D+02
      5   0.854586D-01  0.726430D+01 -0.420429D+00  0.163523D+02 -0.483643D+01
      6   0.507391D+01  0.286148D+01  0.392749D+01  0.181222D+02 -0.640844D+01
               101           102           103           104           105 
      1  -0.986269D+01 -0.867120D+00 -0.320244D+01  0.889814D+01  0.827782D+01
      2   0.232021D+02  0.329838D+01  0.131946D+02 -0.824465D+01 -0.976651D+01
      3  -0.133394D+02 -0.243126D+01 -0.999219D+01 -0.653495D+00  0.148869D+01
      4   0.257707D+02 -0.441386D+01  0.230008D+02  0.146937D+02 -0.452719D+01
      5  -0.120076D+01  0.111592D+02 -0.145946D+01 -0.817627D+01  0.164158D+01
      6  -0.306410D+01  0.711610D+01 -0.254460D+01 -0.128835D+02  0.912837D+01
               106           107           108           109           110 
      1  -0.304712D+01  0.127530D+02 -0.358540D+01  0.980633D+01 -0.174133D+02
      2   0.869692D+00 -0.201389D+02 -0.412386D+01 -0.747073D+01  0.131672D+02
      3   0.217743D+01  0.738586D+01  0.770926D+01 -0.233560D+01  0.424609D+01
      4  -0.919629D+01 -0.116300D+02  0.714260D+01 -0.142024D+02 -0.182684D+02
      5   0.105346D+02  0.379131D+01 -0.413810D+01  0.975467D+01  0.149536D+00
      6   0.867676D+01  0.116865D+02 -0.884657D+01 -0.193756D+01  0.640021D+01
               111           112           113           114           115 
      1   0.951627D+01 -0.181392D+02 -0.235253D+02  0.358857D+01  0.965065D+01
      2  -0.199824D+01  0.132549D+02  0.772518D+01 -0.804599D+01 -0.339276D+01
      3  -0.751803D+01  0.488429D+01  0.158001D+02  0.445743D+01 -0.625788D+01
      4  -0.210672D+01 -0.302194D+02  0.878690D+01  0.263770D+02 -0.126966D+01
      5  -0.996442D+01  0.180502D+00  0.303004D+02  0.172165D+02 -0.354889D+02
      6   0.376378D+01  0.103877D+02 -0.101149D+02 -0.115499D+02  0.102284D+02
               116           117           118           119           120 
      1   0.419765D+01 -0.137644D+02  0.179723D+01 -0.310626D+00 -0.516405D+01
      2  -0.342098D+01  0.806552D+01 -0.508034D+01  0.259680D+00  0.137328D+01
      3  -0.776671D+00  0.569884D+01  0.328311D+01  0.509460D-01  0.379077D+01
      4   0.211865D+02  0.207136D+02 -0.285437D+00  0.163903D+01  0.112001D+01
      5   0.199959D+02 -0.390682D+01 -0.379221D+01 -0.731618D-01  0.652197D+01
      6  -0.210041D+02 -0.476400D+01  0.503493D+00  0.927685D+00 -0.255560D+00
               121           122           123           124           125 
      1   0.165750D+00 -0.614338D+01  0.880784D+00 -0.510891D+01  0.158111D+01
      2  -0.608200D+00  0.109188D+01  0.196718D+01  0.596807D+01  0.115758D+01
      3   0.442450D+00  0.505150D+01 -0.284796D+01 -0.859160D+00 -0.273869D+01
      4   0.162819D+01  0.202094D+01 -0.215879D+01  0.112353D+01 -0.303122D+01
      5  -0.736090D+00 -0.293953D+01  0.294220D+01  0.845961D+01  0.175031D+01
      6   0.311079D+00 -0.555200D+00  0.837680D+01  0.750398D+00  0.627811D+01
               126           127           128           129           130 
      1  -0.254019D+02  0.136616D+02 -0.693112D+01 -0.336312D+01  0.329978D+00
      2  -0.226167D+02 -0.291107D+00  0.201183D+02  0.462465D+01  0.105368D+02
      3   0.480186D+02 -0.133705D+02 -0.131872D+02 -0.126153D+01 -0.108668D+02
      4   0.189694D+01  0.195547D+02  0.266146D+02 -0.337832D+01  0.240000D+02
      5  -0.253870D+02 -0.245847D+01  0.962289D+00  0.981207D+01 -0.684536D+00
      6   0.219221D+01 -0.396294D+01  0.199804D+01  0.680942D+01  0.623675D+00
               131           132           133           134           135 
      1   0.119841D+02  0.121880D+02 -0.613589D+01  0.189259D+02 -0.253276D+00
      2  -0.969758D+01 -0.151059D+02  0.140688D+01 -0.324946D+02 -0.808067D+01
      3  -0.228648D+01  0.291790D+01  0.472901D+01  0.135687D+02  0.833395D+01
      4   0.136495D+02 -0.586031D+01 -0.100713D+02 -0.167112D+02  0.460241D+01
      5  -0.758030D+01  0.208243D+00  0.943655D+01  0.747621D+00 -0.420583D+01
      6  -0.214702D+02  0.592996D+01  0.688940D+01  0.506504D+01 -0.107844D+02
               136           137           138           139           140 
      1   0.228183D+01 -0.503327D+00  0.214686D+01 -0.131556D+01 -0.246041D+01
      2  -0.574353D+01  0.661059D+00 -0.312074D+01  0.238812D+01 -0.590934D+00
      3   0.346170D+01 -0.157732D+00  0.973885D+00 -0.107256D+01  0.305134D+01
      4   0.159251D+01  0.418236D+01  0.380438D+01  0.399525D+01  0.436110D+00
      5   0.633842D+01  0.803747D+00  0.115882D+02 -0.768647D+00  0.318712D+01
      6   0.401380D+01  0.104398D+01  0.327135D+01  0.851004D+00  0.211457D+01
               141           142           143           144           145 
      1  -0.118771D+01  0.895603D+00 -0.265075D+01 -0.168896D+02  0.261590D+02
      2   0.433166D+01 -0.505785D+01  0.435617D+01 -0.222565D+02 -0.504186D+01
      3  -0.314395D+01  0.416225D+01 -0.170542D+01  0.391462D+02 -0.211171D+02
      4   0.253791D+01  0.631759D+01  0.618993D+01  0.257511D+01 -0.409115D+02
      5  -0.280554D+01  0.118646D+02  0.178196D+01  0.260582D+02 -0.676725D+01
      6   0.558463D+01  0.486507D+01  0.671751D+01  0.236381D+02  0.194954D+01
               146           147           148           149           150 
      1  -0.184675D+01  0.144346D+00 -0.278368D+01  0.166475D+01  0.884013D-01
      2  -0.956813D+01 -0.125604D+00 -0.261557D+01  0.378913D+01 -0.510106D+00
      3   0.114149D+02 -0.187419D-01  0.539925D+01 -0.545388D+01  0.421704D+00
      4   0.217079D+02  0.352177D+01  0.116240D+02 -0.718859D+01 -0.796060D+00
      5   0.308555D+01  0.510093D+01  0.153482D+01 -0.563811D+00 -0.239739D+01
      6  -0.317085D+01 -0.638355D+01 -0.135224D+01  0.735400D+00  0.194179D+01
               151           152           153           154           155 
      1   0.133237D+01 -0.133139D+00  0.115297D+01  0.330917D+02  0.156453D+02
      2  -0.298833D+00 -0.205900D+00 -0.483162D+00 -0.167580D+02 -0.775908D+01
      3  -0.103354D+01  0.339039D+00 -0.669810D+00 -0.163337D+02 -0.788620D+01
      4  -0.942686D+00  0.331728D+00 -0.295843D+01  0.161178D+02  0.162179D+02
      5   0.402686D+01 -0.159369D+01 -0.101470D+01 -0.594299D+01 -0.390561D+01
      6  -0.290513D+01  0.244776D+01  0.211204D+01 -0.121145D+01 -0.857164D+00
               156           157           158           159           160 
      1  -0.499402D+01  0.300592D+02  0.150251D+02 -0.458616D+01 -0.986183D+01
      2   0.234631D+01 -0.154892D+02 -0.532314D+01  0.252691D+01  0.583916D+01
      3   0.264771D+01 -0.145700D+02 -0.970199D+01  0.205925D+01  0.402267D+01
      4  -0.335405D+01  0.191921D+02  0.225113D+02 -0.554327D+01 -0.601169D+01
      5   0.809482D+01 -0.645470D+01 -0.615513D+01  0.706920D+01  0.756110D+01
      6   0.110311D+01 -0.178269D+01 -0.179639D+01  0.105511D+01  0.150606D+01
               161           162           163           164           165 
      1  -0.537899D+01  0.517615D+01 -0.261723D+01  0.855839D+01  0.907491D+00
      2   0.302207D+01 -0.308949D+01  0.393278D+01 -0.132219D+02 -0.210018D+01
      3   0.235692D+01 -0.208666D+01 -0.131555D+01  0.466353D+01  0.119269D+01
      4  -0.713796D+01  0.382804D+01 -0.265517D+01 -0.713009D+00  0.127627D+01
      5   0.457203D+01 -0.376604D+01  0.379001D+00 -0.126141D+01 -0.149896D+01
      6   0.215945D+01 -0.165244D+01  0.165171D+01 -0.438731D+00 -0.132989D+01
               166           167           168           169           170 
      1   0.508720D+01 -0.295083D+02 -0.275169D+01  0.135479D+01 -0.798648D+01
      2  -0.426279D+01  0.517115D+02  0.681602D+01 -0.124768D+01  0.132945D+02
      3  -0.824414D+00 -0.222032D+02 -0.406434D+01 -0.107111D+00 -0.530805D+01
      4   0.715995D+01  0.138735D+02  0.100239D+01  0.214658D+01  0.389328D+01
      5  -0.150722D+01  0.367230D+01  0.346239D+01  0.280728D+00  0.242089D+01
      6  -0.930226D+00  0.140836D+01  0.761367D+01 -0.102869D+01  0.579920D+01
               171           172           173           174           175 
      1  -0.395062D+01  0.345762D+02  0.110186D+02  0.324369D+01  0.153426D+02
      2   0.522692D+01 -0.206837D+02 -0.942279D+01 -0.567552D+01 -0.119601D+02
      3  -0.127629D+01 -0.138926D+02 -0.159578D+01  0.243183D+01 -0.338255D+01
      4   0.849833D+00 -0.427539D+01  0.169144D+02 -0.743524D+01  0.153635D+02
      5   0.480166D+00  0.165925D+02 -0.425168D+01  0.214949D+02 -0.225353D+01
      6   0.222212D+01 -0.282422D+00  0.891284D+01 -0.766400D+01  0.621622D+01
               176           177           178           179           180 
      1   0.152767D+02 -0.543214D+01  0.727877D+01 -0.857326D+01  0.771968D+01
      2  -0.580120D+01  0.295160D+01 -0.721898D+01  0.292753D+01 -0.222229D+02
      3  -0.947547D+01  0.248054D+01 -0.597948D-01  0.564573D+01  0.145032D+02
      4   0.288084D+01  0.296234D+01 -0.859341D+01  0.834539D+00 -0.103503D+02
      5   0.444277D+01  0.464212D+01  0.346343D+02 -0.936586D+01  0.300179D+02
      6   0.405227D+01  0.211313D+01 -0.101250D+02  0.130812D+02 -0.367355D+01
               181           182           183           184           185 
      1   0.357049D+02  0.187622D+02 -0.797181D+01  0.297429D+02  0.160935D+02
      2  -0.193455D+02 -0.999485D+01  0.483803D+01 -0.166748D+02 -0.587258D+01
      3  -0.163593D+02 -0.876738D+01  0.313379D+01 -0.130681D+02 -0.102209D+02
      4   0.172146D+02  0.162690D+02 -0.327078D+01  0.188156D+02  0.244543D+02
      5  -0.121162D+02 -0.559395D+01  0.112061D+02 -0.882692D+01 -0.121593D+02
      6  -0.149510D+01 -0.303905D+01  0.443958D+00 -0.337389D+01 -0.301180D+01
               186           187           188           189           190 
      1  -0.514703D+01 -0.890183D+01 -0.266692D+01  0.705957D+01  0.131661D+02
      2   0.444322D+01  0.606846D+01  0.282884D+01 -0.600817D+01 -0.452319D+01
      3   0.703809D+00  0.283338D+01 -0.161920D+00 -0.105140D+01 -0.864292D+01
      4  -0.994563D+01 -0.312510D+01 -0.788214D+01  0.528436D+01 -0.136824D+02
      5   0.101965D+02  0.135379D+02  0.707344D+01 -0.708354D+01 -0.135063D+02
      6   0.299683D+01  0.842952D+00  0.448363D+01 -0.224195D+01  0.605147D+01
               191           192           193           194           195 
      1  -0.776538D+01 -0.899660D+01 -0.127124D+02  0.437814D+01 -0.230020D-01
      2   0.140865D+01  0.445586D+01  0.211170D+01  0.995112D+01  0.330746D+01
      3   0.635673D+01  0.454073D+01  0.106007D+02 -0.143293D+02 -0.328446D+01
      4   0.158487D+02  0.783041D+01  0.263735D+02 -0.367158D+02 -0.204915D+02
      5   0.736023D+01  0.117547D+02  0.134797D+02 -0.218214D+02 -0.239278D+02
      6  -0.474660D+01 -0.468550D+01 -0.877594D+01  0.177092D+02  0.162836D+02
               196           197           198           199           200 
      1  -0.104494D+02 -0.995380D-01  0.161241D+01 -0.164494D+01  0.955047D+01
      2   0.574219D+01  0.195295D+01 -0.321911D+01  0.348565D+01 -0.137560D+02
      3   0.470718D+01 -0.185341D+01  0.160671D+01 -0.184071D+01  0.420555D+01
      4   0.117209D+02 -0.177827D+02 -0.180190D+02  0.485042D+00  0.195017D+01
      5   0.182364D+02 -0.189241D+02 -0.254555D+02  0.398652D+00 -0.741910D+00
      6  -0.768947D+01  0.146353D+02  0.155265D+02  0.195411D+01 -0.437782D+01
               201           202           203           204           205 
      1   0.292706D+01  0.461483D+01 -0.344981D+02 -0.817295D+01  0.231666D+01
      2  -0.356075D+01 -0.235963D+01  0.602661D+02  0.130510D+02 -0.144427D+01
      3   0.633693D+00 -0.225521D+01 -0.257681D+02 -0.487806D+01 -0.872390D+00
      4   0.101490D+01  0.779516D+01  0.214503D+02  0.372243D+01  0.325002D+01
      5  -0.388630D+00  0.113957D-01  0.666181D+01  0.544082D+01  0.673342D+00
      6  -0.259594D+01 -0.545036D+00  0.161768D+02  0.116969D+02 -0.605442D+00
               206           207           208           209           210 
      1  -0.163682D+02 -0.801291D+01 -0.158933D+02 -0.117733D+02  0.758067D+01
      2   0.255310D+02  0.108410D+02  0.100590D+02  0.818775D+01 -0.261966D+01
      3  -0.916278D+01 -0.282813D+01  0.583429D+01  0.358553D+01 -0.496101D+01
      4   0.898476D+01  0.342797D+01  0.933396D+00 -0.734458D+01  0.388149D+01
      5   0.568114D+01  0.252263D+01 -0.225498D+01  0.198035D+01 -0.786765D+01
      6   0.144779D+02  0.794411D+01 -0.314791D+01 -0.710970D+01  0.694787D+01
               211           212           213           214           215 
      1  -0.170217D+02 -0.162171D+02  0.883673D+01  0.814743D+01  0.739345D+01
      2   0.106594D+02  0.140482D+02 -0.542865D+01 -0.363659D+01 -0.462853D+01
      3   0.636231D+01  0.216894D+01 -0.340807D+01 -0.451084D+01 -0.276492D+01
      4   0.239530D+00 -0.124043D+02  0.700218D+01  0.465523D+00  0.665461D+01
      5  -0.199978D+01  0.537681D+01 -0.963769D+01  0.137810D+01 -0.287740D+01
      6  -0.372434D+01 -0.114488D+02  0.898724D+01  0.295042D+01  0.694351D+01
               216 
      1  -0.760036D+01
      2   0.213838D+01
      3   0.546198D+01
      4  -0.263758D+01
      5   0.798463D+01
      6  -0.684641D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 19:35:18 2022, MaxMem=  5368709120 cpu:            9403.3 elap:            1179.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17271 -19.17090 -19.16486 -19.16135 -19.15901
 Alpha  occ. eigenvalues --  -19.15284 -10.30288 -10.25360 -10.25116 -10.25058
 Alpha  occ. eigenvalues --  -10.24880 -10.23959  -1.08834  -1.04892  -1.04012
 Alpha  occ. eigenvalues --   -1.02706  -1.01799  -1.01340  -0.79557  -0.78022
 Alpha  occ. eigenvalues --   -0.69966  -0.65692  -0.63298  -0.59868  -0.58282
 Alpha  occ. eigenvalues --   -0.55003  -0.53707  -0.52967  -0.50734  -0.50582
 Alpha  occ. eigenvalues --   -0.48567  -0.47398  -0.45014  -0.44029  -0.42791
 Alpha  occ. eigenvalues --   -0.42074  -0.39846  -0.39082  -0.37858  -0.36246
 Alpha  occ. eigenvalues --   -0.35395  -0.34805  -0.32995  -0.31634  -0.30355
 Alpha  occ. eigenvalues --   -0.29722  -0.29219  -0.28144
 Alpha virt. eigenvalues --    0.00455   0.01113   0.01800   0.02379   0.04246
 Alpha virt. eigenvalues --    0.04811   0.05643   0.06313   0.07121   0.08066
 Alpha virt. eigenvalues --    0.09309   0.09854   0.10160   0.10742   0.11038
 Alpha virt. eigenvalues --    0.11827   0.12049   0.12748   0.13223   0.14495
 Alpha virt. eigenvalues --    0.14560   0.15014   0.15369   0.15790   0.16151
 Alpha virt. eigenvalues --    0.16799   0.17117   0.17658   0.18574   0.18917
 Alpha virt. eigenvalues --    0.20159   0.20563   0.21441   0.22299   0.23258
 Alpha virt. eigenvalues --    0.23518   0.24315   0.24812   0.24959   0.25269
 Alpha virt. eigenvalues --    0.25988   0.26732   0.27115   0.27173   0.28468
 Alpha virt. eigenvalues --    0.28716   0.28889   0.29195   0.29642   0.30466
 Alpha virt. eigenvalues --    0.31167   0.31695   0.32042   0.32483   0.32647
 Alpha virt. eigenvalues --    0.33231   0.34183   0.34796   0.35427   0.35891
 Alpha virt. eigenvalues --    0.36140   0.36403   0.36525   0.37657   0.37747
 Alpha virt. eigenvalues --    0.38640   0.38896   0.39745   0.39851   0.40168
 Alpha virt. eigenvalues --    0.41419   0.41710   0.42722   0.43211   0.43452
 Alpha virt. eigenvalues --    0.44554   0.44952   0.45589   0.46135   0.46674
 Alpha virt. eigenvalues --    0.47317   0.47635   0.48445   0.48838   0.49888
 Alpha virt. eigenvalues --    0.50241   0.50633   0.51419   0.52332   0.52797
 Alpha virt. eigenvalues --    0.53110   0.53360   0.53490   0.54357   0.54655
 Alpha virt. eigenvalues --    0.55074   0.55437   0.55944   0.57092   0.57224
 Alpha virt. eigenvalues --    0.57598   0.58067   0.58412   0.59467   0.60042
 Alpha virt. eigenvalues --    0.60924   0.61076   0.61247   0.62430   0.62994
 Alpha virt. eigenvalues --    0.63355   0.63731   0.64367   0.65210   0.65888
 Alpha virt. eigenvalues --    0.66064   0.66814   0.68274   0.69249   0.69690
 Alpha virt. eigenvalues --    0.70748   0.71326   0.71836   0.72881   0.73603
 Alpha virt. eigenvalues --    0.74447   0.74812   0.75695   0.76495   0.76860
 Alpha virt. eigenvalues --    0.78106   0.78361   0.79430   0.80493   0.80613
 Alpha virt. eigenvalues --    0.81140   0.82276   0.82618   0.83312   0.84902
 Alpha virt. eigenvalues --    0.86038   0.86530   0.87110   0.87948   0.88959
 Alpha virt. eigenvalues --    0.90392   0.92540   0.93014   0.94556   0.96523
 Alpha virt. eigenvalues --    0.98625   0.99903   1.00115   1.02976   1.03581
 Alpha virt. eigenvalues --    1.03929   1.05872   1.06659   1.07995   1.09426
 Alpha virt. eigenvalues --    1.10565   1.11276   1.13090   1.14601   1.16017
 Alpha virt. eigenvalues --    1.17232   1.17880   1.19456   1.20413   1.21607
 Alpha virt. eigenvalues --    1.26179   1.27008   1.29203   1.29926   1.32519
 Alpha virt. eigenvalues --    1.33448   1.35057   1.37605   1.38400   1.40267
 Alpha virt. eigenvalues --    1.41303   1.44850   1.48200   1.49197   1.51410
 Alpha virt. eigenvalues --    1.52541   1.54009   1.55632   1.56625   1.58150
 Alpha virt. eigenvalues --    1.59073   1.59711   1.61605   1.63184   1.64043
 Alpha virt. eigenvalues --    1.65697   1.66917   1.69280   1.72080   1.73882
 Alpha virt. eigenvalues --    1.75163   1.76540   1.77665   1.78605   1.83108
 Alpha virt. eigenvalues --    1.84349   1.85084   1.85854   1.86867   1.88919
 Alpha virt. eigenvalues --    1.90607   1.92568   1.94256   1.94621   1.95522
 Alpha virt. eigenvalues --    1.97394   1.97934   1.98675   1.99857   2.01119
 Alpha virt. eigenvalues --    2.01905   2.02100   2.04930   2.05116   2.05757
 Alpha virt. eigenvalues --    2.06913   2.08983   2.10840   2.11253   2.12412
 Alpha virt. eigenvalues --    2.12677   2.14276   2.17066   2.18623   2.19827
 Alpha virt. eigenvalues --    2.20140   2.21857   2.22507   2.23257   2.24925
 Alpha virt. eigenvalues --    2.26652   2.27715   2.28190   2.30656   2.31828
 Alpha virt. eigenvalues --    2.32011   2.33880   2.34541   2.35214   2.36093
 Alpha virt. eigenvalues --    2.37281   2.38378   2.39542   2.42232   2.43188
 Alpha virt. eigenvalues --    2.44780   2.47186   2.49350   2.51261   2.55552
 Alpha virt. eigenvalues --    2.56747   2.59141   2.59697   2.64687   2.67047
 Alpha virt. eigenvalues --    2.69833   2.71997   2.80745   2.88488   2.91216
 Alpha virt. eigenvalues --    2.93342   2.97931   3.00287   3.02560   3.03174
 Alpha virt. eigenvalues --    3.03498   3.04722   3.06967   3.07253   3.08267
 Alpha virt. eigenvalues --    3.08954   3.09631   3.10343   3.13094   3.14154
 Alpha virt. eigenvalues --    3.17326   3.18503   3.19480   3.21279   3.22299
 Alpha virt. eigenvalues --    3.24678   3.26329   3.29744   3.30704   3.47999
 Alpha virt. eigenvalues --    3.53246   3.54499   3.58694   3.60071   3.68195
 Alpha virt. eigenvalues --    3.78837   3.93574   3.95673   3.96668   3.97820
 Alpha virt. eigenvalues --    3.99764
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.666086  -0.283980  -0.508381  -0.235798   0.031638  -0.108493
     2  C   -0.283980   6.192235  -0.153522   0.015168  -0.040438  -0.351686
     3  C   -0.508381  -0.153522   6.589314   0.053334  -0.055028  -0.046292
     4  C   -0.235798   0.015168   0.053334   6.105624  -0.547618   0.178869
     5  O    0.031638  -0.040438  -0.055028  -0.547618  10.135100  -0.658419
     6  C   -0.108493  -0.351686  -0.046292   0.178869  -0.658419   5.941530
     7  O   -0.036294  -0.093626  -0.168203   0.046954   0.021455   0.019163
     8  H    0.404309  -0.011473   0.005874  -0.103363   0.040935  -0.050707
     9  O   -0.141026   0.036034   0.001989  -0.001941   0.051189  -0.086823
    10  H    0.124439   0.362861  -0.092265  -0.013318  -0.102653   0.111800
    11  H   -0.032918  -0.011524   0.240154  -0.006426  -0.154187   0.018885
    12  O   -0.060510   0.013115  -0.203890  -0.106697   0.056498  -0.006478
    13  C    0.049856  -0.014149  -0.167009   0.239360  -0.010313   0.012099
    14  H   -0.112634   0.040514   0.183350   0.311537  -0.226197   0.031791
    15  O    0.064172  -0.137982  -0.005238  -0.095961   0.050316  -0.176687
    16  H   -0.087339   0.182923  -0.007022   0.075375  -0.078844   0.393511
    17  H    0.050695  -0.037314   0.073018   0.002684  -0.004245   0.007847
    18  H    0.042259   0.041354   0.004600   0.002576   0.008424  -0.024668
    19  H   -0.031440   0.006934   0.143432   0.026561   0.001918  -0.000783
    20  O    0.000630  -0.001128  -0.140002   0.009785  -0.051689  -0.008565
    21  H    0.020181  -0.001904  -0.085373   0.038399   0.055435  -0.005108
    22  H   -0.002932  -0.000351   0.070668   0.114315  -0.019860   0.010238
    23  H   -0.002734   0.053477   0.000456   0.007996   0.003179   0.058932
    24  H    0.004334  -0.000330  -0.019890  -0.007870   0.062477  -0.001378
               7          8          9         10         11         12
     1  C   -0.036294   0.404309  -0.141026   0.124439  -0.032918  -0.060510
     2  C   -0.093626  -0.011473   0.036034   0.362861  -0.011524   0.013115
     3  C   -0.168203   0.005874   0.001989  -0.092265   0.240154  -0.203890
     4  C    0.046954  -0.103363  -0.001941  -0.013318  -0.006426  -0.106697
     5  O    0.021455   0.040935   0.051189  -0.102653  -0.154187   0.056498
     6  C    0.019163  -0.050707  -0.086823   0.111800   0.018885  -0.006478
     7  O    8.337033  -0.061779   0.049202  -0.071474  -0.108142   0.066729
     8  H   -0.061779   0.945479  -0.059945   0.025737   0.037638  -0.060766
     9  O    0.049202  -0.059945   8.259191  -0.045394  -0.006963   0.009294
    10  H   -0.071474   0.025737  -0.045394   1.013556  -0.036919  -0.002311
    11  H   -0.108142   0.037638  -0.006963  -0.036919   1.411510  -0.072293
    12  O    0.066729  -0.060766   0.009294  -0.002311  -0.072293   8.446276
    13  C    0.006966   0.005473   0.000666   0.006595  -0.071785   0.025320
    14  H    0.008542  -0.047048  -0.002411  -0.005085   0.058854  -0.047423
    15  O    0.003491   0.011094   0.036754  -0.079981  -0.001809   0.001338
    16  H    0.003070  -0.042213  -0.059210   0.017810  -0.004483  -0.001951
    17  H    0.183232   0.001898   0.004878  -0.005977   0.007460  -0.002570
    18  H    0.000671   0.004633   0.194373  -0.016016  -0.000129  -0.000469
    19  H    0.004962   0.000694   0.001040   0.000467  -0.033965   0.129975
    20  O    0.004949   0.002561   0.000895   0.002783   0.011671   0.025267
    21  H    0.000840   0.002245   0.000136   0.000228  -0.005700   0.017867
    22  H   -0.000453   0.000035  -0.000070  -0.000197   0.008193  -0.001097
    23  H    0.000058  -0.000309   0.000803   0.004536   0.000429   0.000328
    24  H   -0.000326  -0.000085   0.000132   0.001385  -0.010668  -0.003632
              13         14         15         16         17         18
     1  C    0.049856  -0.112634   0.064172  -0.087339   0.050695   0.042259
     2  C   -0.014149   0.040514  -0.137982   0.182923  -0.037314   0.041354
     3  C   -0.167009   0.183350  -0.005238  -0.007022   0.073018   0.004600
     4  C    0.239360   0.311537  -0.095961   0.075375   0.002684   0.002576
     5  O   -0.010313  -0.226197   0.050316  -0.078844  -0.004245   0.008424
     6  C    0.012099   0.031791  -0.176687   0.393511   0.007847  -0.024668
     7  O    0.006966   0.008542   0.003491   0.003070   0.183232   0.000671
     8  H    0.005473  -0.047048   0.011094  -0.042213   0.001898   0.004633
     9  O    0.000666  -0.002411   0.036754  -0.059210   0.004878   0.194373
    10  H    0.006595  -0.005085  -0.079981   0.017810  -0.005977  -0.016016
    11  H   -0.071785   0.058854  -0.001809  -0.004483   0.007460  -0.000129
    12  O    0.025320  -0.047423   0.001338  -0.001951  -0.002570  -0.000469
    13  C    4.287070  -0.153296   0.000502   0.005050  -0.000205   0.000008
    14  H   -0.153296   1.201703  -0.023593   0.018353  -0.000143   0.000329
    15  O    0.000502  -0.023593   8.632950  -0.125634   0.000442  -0.004223
    16  H    0.005050   0.018353  -0.125634   1.025647   0.000462   0.004781
    17  H   -0.000205  -0.000143   0.000442   0.000462   0.585937  -0.000130
    18  H    0.000008   0.000329  -0.004223   0.004781  -0.000130   0.591300
    19  H    0.001607   0.000112   0.000040   0.000114  -0.001860   0.000017
    20  O    0.143653  -0.008854   0.003285  -0.002119  -0.000270  -0.000019
    21  H    0.170403  -0.003053   0.001150  -0.000734  -0.000022  -0.000003
    22  H    0.131260   0.005583  -0.002814  -0.001223   0.000002   0.000001
    23  H   -0.001248   0.002801   0.089882  -0.010449   0.000006   0.000182
    24  H    0.044537   0.003927  -0.001279  -0.001136  -0.000003  -0.000019
              19         20         21         22         23         24
     1  C   -0.031440   0.000630   0.020181  -0.002932  -0.002734   0.004334
     2  C    0.006934  -0.001128  -0.001904  -0.000351   0.053477  -0.000330
     3  C    0.143432  -0.140002  -0.085373   0.070668   0.000456  -0.019890
     4  C    0.026561   0.009785   0.038399   0.114315   0.007996  -0.007870
     5  O    0.001918  -0.051689   0.055435  -0.019860   0.003179   0.062477
     6  C   -0.000783  -0.008565  -0.005108   0.010238   0.058932  -0.001378
     7  O    0.004962   0.004949   0.000840  -0.000453   0.000058  -0.000326
     8  H    0.000694   0.002561   0.002245   0.000035  -0.000309  -0.000085
     9  O    0.001040   0.000895   0.000136  -0.000070   0.000803   0.000132
    10  H    0.000467   0.002783   0.000228  -0.000197   0.004536   0.001385
    11  H   -0.033965   0.011671  -0.005700   0.008193   0.000429  -0.010668
    12  O    0.129975   0.025267   0.017867  -0.001097   0.000328  -0.003632
    13  C    0.001607   0.143653   0.170403   0.131260  -0.001248   0.044537
    14  H    0.000112  -0.008854  -0.003053   0.005583   0.002801   0.003927
    15  O    0.000040   0.003285   0.001150  -0.002814   0.089882  -0.001279
    16  H    0.000114  -0.002119  -0.000734  -0.001223  -0.010449  -0.001136
    17  H   -0.001860  -0.000270  -0.000022   0.000002   0.000006  -0.000003
    18  H    0.000017  -0.000019  -0.000003   0.000001   0.000182  -0.000019
    19  H    0.630061  -0.002146  -0.002473  -0.000326  -0.000009   0.000260
    20  O   -0.002146   8.302773   0.003685   0.009512  -0.000657   0.197093
    21  H   -0.002473   0.003685   1.089298  -0.089591   0.000016   0.002945
    22  H   -0.000326   0.009512  -0.089591   0.936312   0.000366  -0.028266
    23  H   -0.000009  -0.000657   0.000016   0.000366   0.641943   0.000227
    24  H    0.000260   0.197093   0.002945  -0.028266   0.000227   0.529478
 Mulliken charges:
               1
     1  C    0.185880
     2  C    0.194794
     3  C    0.285923
     4  C   -0.109544
     5  O   -0.569074
     6  C    0.741422
     7  O   -0.217021
     8  H   -0.050917
     9  O   -0.242793
    10  H   -0.200608
    11  H   -0.236882
    12  O   -0.221918
    13  C    1.287582
    14  H   -0.237659
    15  O   -0.240214
    16  H   -0.304737
    17  H    0.134179
    18  H    0.150169
    19  H    0.124807
    20  O   -0.503095
    21  H   -0.208866
    22  H   -0.139306
    23  H    0.149791
    24  H    0.228085
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.134963
     2  C   -0.005814
     3  C    0.049042
     4  C   -0.347203
     5  O   -0.569074
     6  C    0.436686
     7  O   -0.082842
     9  O   -0.092624
    12  O   -0.097111
    13  C    0.939410
    15  O   -0.090423
    20  O   -0.275009
 Electronic spatial extent (au):  <R**2>=           2115.2008
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.9158    Y=             -2.4773    Z=             -2.3185  Tot=              4.4737
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -78.9780   YY=            -66.9606   ZZ=            -72.4482
   XY=              0.2337   XZ=             -4.1584   YZ=              3.8445
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.1824   YY=              5.8350   ZZ=              0.3474
   XY=              0.2337   XZ=             -4.1584   YZ=              3.8445
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -46.7580  YYY=            -20.7553  ZZZ=              0.2909  XYY=            -11.2639
  XXY=             -4.7634  XXZ=             -9.2239  XZZ=             -7.6106  YZZ=             -9.0808
  YYZ=             -8.1197  XYZ=              1.0726
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1482.8445 YYYY=           -789.5820 ZZZZ=           -211.3812 XXXY=             23.2600
 XXXZ=            -93.3668 YYYX=             18.8615 YYYZ=             26.7988 ZZZX=              0.9747
 ZZZY=             -2.1285 XXYY=           -372.8917 XXZZ=           -295.7537 YYZZ=           -196.4461
 XXYZ=             19.7389 YYXZ=             28.8582 ZZXY=             -2.4557
 N-N= 8.322132010642D+02 E-N=-3.273180966080D+03  KE= 6.804278225702D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 19:35:18 2022, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.15275968D+00-9.56241670D-01-8.33212327D-01
 Polarizability= 1.27180757D+02 2.70505437D+00 1.21777246D+02
                -2.52810957D+00-3.75152984D-01 1.09785942D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.7943    0.7937        0.7794    0.7798
 2     -0.7943   -0.7937        0.2153    0.2151       -3.3935   -3.3931
 3     -0.7794   -0.7798       11.1055   11.1044       -0.2149   -0.2151
 4     -0.2153   -0.2151        0.0000    0.0000       -0.7789   -0.7798
 5     -7.7120   -7.7114        0.7789    0.7798        0.7929    0.7937
 6      0.2149    0.2151       -0.7929   -0.7937        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.3810   -2.3810        2.3394    2.3394
 2     -0.6453   -0.6453        0.0000    0.0000        2.3394    2.3394
 3     -0.6453   -0.6453       -2.3810   -2.3810        0.0000    0.0000
 4     -2.3810   -2.3810        0.6453    0.6453      -10.1792  -10.1792
 5     -2.3394   -2.3394       33.3133   33.3133       -0.6453   -0.6453
 6    -23.1341  -23.1341        2.3394    2.3394        2.3810    2.3810
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0245    0.0000       -3.1766   -3.1747       -2.9838   -3.1192
 2      3.1319    3.1747       -0.9283   -0.8604       13.7171   13.5723
 3      3.0310    3.1192      -44.5886  -44.4177        0.7659    0.8604
 4      0.7500    0.8604        0.1102    0.0000        3.1340    3.1192
 5     30.9090   30.8455       -3.1012   -3.1192       -3.3985   -3.1747
 6     -0.6724   -0.8604        3.1482    3.1747        0.1160    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0571    0.0000        0.0672    0.0744       -2.1586   -2.1583
 2     -0.1109   -0.0744        5.9528    6.0065       10.3682   10.3422
 3      2.2213    2.1583       -0.6509   -0.6364       -5.9037   -6.0065
 4     -6.0719   -6.0065        0.0138    0.0000        1.9579    2.1583
 5     -9.7336   -9.7058       -2.1920   -2.1583        0.0873    0.0744
 6      6.0357    6.0065       -0.0964   -0.0744        0.1499    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -25.6633  -25.4003        9.1744    9.2181       -0.4529   -0.2236
 2    -38.2430  -37.8650       15.0230   14.9198       -0.6674   -0.2236
 3    -38.2220  -37.8650        9.3209    9.2181       -0.2552    0.1783
 4     -5.9848   -5.7017       12.4955   12.4647        6.9771    7.3456
 5      0.2759    0.4019        1.7473    1.6187      -12.7699  -12.4647
 6     -8.9779   -8.9643       -0.3734   -0.4019        5.1862    5.7017
 Full mass-weighted force constant matrix:
 Low frequencies ---  -19.1141  -14.8163  -12.7132   -0.0005    0.0001    0.0007
 Low frequencies ---   62.8603   79.4899  110.3794
 Diagonal vibrational polarizability:
      164.2165828     107.4721679     252.1183100
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     62.8520                79.3668               110.3728
 Red. masses --      5.8023                 5.3389                 6.6749
 Frc consts  --      0.0135                 0.0198                 0.0479
 IR Inten    --      1.2508                 4.9795                 3.4128
 RamAct Fr= 1--      0.0580                 0.2214                 0.0471
  Dep-P Fr= 1--      0.7179                 0.7489                 0.7278
  Dep-U Fr= 1--      0.8358                 0.8564                 0.8425
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0081                 0.0316                 0.0066
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--      0.0046                 0.0854                 0.0638
 Delta2 Fr= 1--     -0.0020                -0.0097                 0.0376
 Raman1 Fr= 1--       0.232                  0.886                  0.188
 ROA1   Fr= 1--       0.380                  7.884                  7.324
 CID1   Fr= 1--       1.635                  8.903                 38.889
 Raman2 Fr= 1--       0.097                  0.379                  0.079
 ROA2   Fr= 1--       0.127                  2.127                  1.230
 CID2   Fr= 1--       1.314                  5.609                 15.502
 Raman3 Fr= 1--       0.194                  0.758                  0.159
 ROA3   Fr= 1--       0.380                  7.884                  7.324
 CID3   Fr= 1--       1.956                 10.396                 46.160
 RC180  Fr= 1--       0.672                  0.713                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.01  -0.01   0.06    -0.01   0.04   0.10
     2   6     0.08  -0.02   0.06    -0.02  -0.02   0.00    -0.05   0.01  -0.05
     3   6     0.02   0.05  -0.11     0.02  -0.05  -0.03     0.01   0.07  -0.05
     4   6     0.06   0.03  -0.04    -0.02  -0.09   0.02     0.00   0.02   0.03
     5   8     0.03   0.01  -0.12    -0.05  -0.05   0.06     0.03   0.06   0.15
     6   6     0.02   0.04  -0.06    -0.03   0.01  -0.05     0.04  -0.00   0.05
     7   8     0.02  -0.00   0.03     0.09  -0.05   0.17     0.04  -0.06   0.32
     8   1    -0.09  -0.01   0.02    -0.05   0.07   0.08    -0.08   0.20   0.14
     9   8     0.03  -0.03   0.26    -0.01   0.03   0.01    -0.00   0.00  -0.31
    10   1     0.23  -0.06   0.04    -0.02  -0.07  -0.00    -0.24  -0.00  -0.03
    11   1     0.09   0.15  -0.12     0.08   0.00  -0.05     0.14   0.20  -0.07
    12   8    -0.05   0.02  -0.25     0.01  -0.10  -0.13    -0.10   0.02  -0.28
    13   6     0.01   0.02   0.16    -0.01  -0.06   0.02     0.01   0.03   0.01
    14   1     0.18   0.02  -0.05    -0.02  -0.14   0.01    -0.04  -0.06   0.03
    15   8     0.04  -0.01  -0.13    -0.12  -0.01  -0.19     0.05   0.00   0.08
    16   1    -0.02   0.12  -0.05     0.07   0.10  -0.05     0.11  -0.07   0.04
    17   1     0.01  -0.07   0.15     0.09   0.03   0.18     0.06   0.08   0.23
    18   1     0.10  -0.07   0.26    -0.02  -0.01  -0.09    -0.06   0.02  -0.36
    19   1     0.04   0.04  -0.20     0.11  -0.07  -0.09     0.02   0.05  -0.23
    20   8    -0.24  -0.10   0.18     0.10   0.36   0.07    -0.03  -0.18  -0.02
    21   1     0.06   0.04   0.34    -0.00  -0.16  -0.28    -0.01   0.08   0.14
    22   1     0.12   0.06   0.15    -0.09  -0.24   0.25     0.05   0.12  -0.10
    23   1     0.01   0.04  -0.22    -0.10   0.02  -0.23     0.14  -0.02   0.17
    24   1    -0.37  -0.04   0.02     0.24   0.33   0.32    -0.11  -0.14  -0.12
                      4                      5                      6
                      A                      A                      A
 Frequencies --    135.9291               166.3916               212.6872
 Red. masses --      5.3614                 1.4862                 1.7230
 Frc consts  --      0.0584                 0.0242                 0.0459
 IR Inten    --      6.9162               162.6939                28.5787
 RamAct Fr= 1--      0.0906                 0.5278                 0.6275
  Dep-P Fr= 1--      0.7346                 0.7055                 0.7429
  Dep-U Fr= 1--      0.8470                 0.8273                 0.8525
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0001
 Beta2  Fr= 1--      0.0128                 0.0728                 0.0892
 AlphaG Fr= 1--      0.0000                -0.0014                 0.0010
 Gamma2 Fr= 1--     -0.0360                 0.0487                -0.1286
 Delta2 Fr= 1--     -0.0380                 0.0611                -0.1634
 Raman1 Fr= 1--       0.363                  2.111                  2.510
 ROA1   Fr= 1--      -4.675                  6.629                -17.577
 CID1   Fr= 1--     -12.894                  3.140                 -7.002
 Raman2 Fr= 1--       0.154                  0.873                  1.070
 ROA2   Fr= 1--      -0.561                  0.679                 -1.779
 CID2   Fr= 1--      -3.655                  0.777                 -1.663
 Raman3 Fr= 1--       0.307                  1.747                  2.140
 ROA3   Fr= 1--      -4.675                  6.629                -17.577
 CID3   Fr= 1--     -15.224                  3.795                 -8.214
 RC180  Fr= 1--       0.694                  0.655                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.02    -0.01   0.00   0.01     0.01  -0.04   0.02
     2   6     0.01  -0.00  -0.07    -0.01   0.01   0.02    -0.04  -0.02   0.03
     3   6     0.01  -0.05  -0.05    -0.01  -0.02  -0.01     0.00  -0.02   0.00
     4   6     0.00   0.00  -0.15    -0.00  -0.00  -0.02     0.01  -0.01  -0.01
     5   8     0.00  -0.04  -0.24     0.01  -0.01  -0.02    -0.01   0.02   0.02
     6   6    -0.04  -0.05  -0.02     0.01   0.01   0.01    -0.01  -0.01   0.01
     7   8     0.08  -0.06   0.13     0.11   0.05   0.02     0.10   0.01  -0.02
     8   1    -0.01   0.11   0.01    -0.03   0.01   0.02     0.00  -0.06   0.02
     9   8     0.02   0.03  -0.10    -0.01  -0.10   0.01    -0.02   0.08  -0.01
    10   1    -0.01   0.01  -0.06    -0.00   0.01   0.02    -0.07  -0.02   0.03
    11   1    -0.00  -0.18  -0.06    -0.01  -0.04  -0.00     0.01  -0.04   0.00
    12   8     0.06  -0.01   0.09    -0.03   0.01   0.03    -0.08   0.04   0.03
    13   6    -0.04  -0.00  -0.01    -0.00   0.01  -0.00    -0.00  -0.04  -0.01
    14   1     0.07   0.07  -0.15     0.00   0.00  -0.02    -0.00  -0.01  -0.01
    15   8     0.08  -0.00   0.25    -0.02   0.03   0.02     0.07  -0.08  -0.05
    16   1    -0.23  -0.19  -0.00    -0.02   0.02   0.02     0.00   0.03   0.01
    17   1     0.06  -0.10   0.27     0.19   0.50  -0.43     0.13   0.23  -0.23
    18   1    -0.05   0.15   0.11     0.14  -0.37  -0.45    -0.18   0.34   0.39
    19   1     0.16  -0.04   0.27    -0.25  -0.01  -0.15    -0.44  -0.00  -0.24
    20   8    -0.22   0.17   0.05    -0.03   0.01   0.00    -0.02   0.01   0.00
    21   1     0.02  -0.06  -0.04    -0.01   0.02   0.01     0.03  -0.06  -0.03
    22   1    -0.00  -0.09   0.14     0.02   0.02   0.00    -0.03  -0.07   0.02
    23   1     0.03  -0.07   0.33    -0.19   0.04  -0.10     0.46  -0.08   0.14
    24   1    -0.29   0.24   0.06    -0.04   0.02  -0.01    -0.07   0.06   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    239.9169               258.4446               264.8425
 Red. masses --      2.6856                 1.7862                 2.0320
 Frc consts  --      0.0911                 0.0703                 0.0840
 IR Inten    --     13.4589                92.9651                98.8241
 RamAct Fr= 1--      0.6243                 0.1804                 0.6847
  Dep-P Fr= 1--      0.1970                 0.6935                 0.2109
  Dep-U Fr= 1--      0.3291                 0.8190                 0.3483
 Alpha2 Fr= 1--      0.0085                 0.0002                 0.0090
 Beta2  Fr= 1--      0.0342                 0.0246                 0.0397
 AlphaG Fr= 1--     -0.0059                 0.0013                 0.0153
 Gamma2 Fr= 1--      0.0267                -0.0117                -0.0754
 Delta2 Fr= 1--      0.0801                 0.0372                 0.0207
 Raman1 Fr= 1--       2.497                  0.722                  2.739
 ROA1   Fr= 1--       5.122                  0.066                 -6.572
 CID1   Fr= 1--       2.051                  0.091                 -2.400
 Raman2 Fr= 1--       0.411                  0.295                  0.477
 ROA2   Fr= 1--      -0.001                 -0.579                 -1.974
 CID2   Fr= 1--      -0.003                 -1.960                 -4.139
 Raman3 Fr= 1--       0.822                  0.591                  0.954
 ROA3   Fr= 1--       5.122                  0.066                 -6.572
 CID3   Fr= 1--       6.233                  0.111                 -6.889
 RC180  Fr= 1--      -0.342                  0.638                 -0.303
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03  -0.02    -0.04   0.03  -0.04    -0.04   0.04  -0.02
     2   6     0.01   0.00   0.01    -0.04   0.02  -0.03    -0.04   0.02  -0.04
     3   6     0.01   0.02  -0.02    -0.05  -0.04  -0.03    -0.01   0.03  -0.01
     4   6    -0.04   0.01  -0.03    -0.03  -0.03   0.00     0.03   0.02   0.01
     5   8     0.01   0.06   0.18    -0.01  -0.02   0.01    -0.03   0.04  -0.07
     6   6     0.05   0.01   0.04    -0.01   0.00  -0.01    -0.02   0.05  -0.05
     7   8     0.00   0.03  -0.01     0.07   0.04   0.02    -0.03   0.02   0.03
     8   1    -0.02   0.03  -0.01    -0.06   0.07  -0.02    -0.03   0.08  -0.02
     9   8    -0.00  -0.08   0.02    -0.06  -0.05   0.02    -0.07  -0.07   0.03
    10   1     0.02   0.04   0.01    -0.01   0.03  -0.03     0.01   0.01  -0.04
    11   1    -0.01  -0.03  -0.02    -0.09  -0.05  -0.02    -0.03   0.05  -0.01
    12   8     0.10  -0.01   0.04     0.06  -0.10  -0.00    -0.02   0.03  -0.02
    13   6    -0.06  -0.05  -0.09     0.01   0.15   0.03     0.00  -0.15   0.04
    14   1    -0.17  -0.09  -0.02    -0.01  -0.05  -0.00     0.11   0.05   0.00
    15   8     0.05  -0.03  -0.08    -0.02   0.00  -0.02     0.04   0.04   0.02
    16   1     0.17   0.05   0.02     0.02  -0.00  -0.02    -0.05   0.01  -0.05
    17   1     0.00   0.02   0.03     0.09   0.20  -0.03    -0.01   0.12  -0.07
    18   1     0.07  -0.15  -0.05    -0.05   0.06   0.31     0.04  -0.18  -0.08
    19   1     0.36   0.01   0.27     0.28  -0.06   0.16     0.20   0.03   0.22
    20   8    -0.16   0.02  -0.07     0.01   0.00   0.00     0.10  -0.04   0.04
    21   1     0.03  -0.13  -0.14    -0.14   0.30   0.17     0.14  -0.30  -0.11
    22   1    -0.15  -0.13  -0.03     0.21   0.29  -0.08    -0.20  -0.27   0.11
    23   1     0.35  -0.02   0.06     0.38  -0.06   0.27     0.53  -0.05   0.40
    24   1    -0.50   0.36  -0.00     0.25  -0.27  -0.14     0.14  -0.02   0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    284.9969               296.3470               307.7879
 Red. masses --      2.5206                 1.6727                 1.3117
 Frc consts  --      0.1206                 0.0865                 0.0732
 IR Inten    --     51.2290                44.6751               154.0826
 RamAct Fr= 1--      0.6770                 1.0117                 0.5152
  Dep-P Fr= 1--      0.7222                 0.4825                 0.1488
  Dep-U Fr= 1--      0.8387                 0.6510                 0.2591
 Alpha2 Fr= 1--      0.0003                 0.0054                 0.0080
 Beta2  Fr= 1--      0.0946                 0.1098                 0.0222
 AlphaG Fr= 1--     -0.0027                -0.0059                -0.0077
 Gamma2 Fr= 1--      0.2310                -0.0099                -0.0340
 Delta2 Fr= 1--      0.1798                 0.0501                -0.0263
 Raman1 Fr= 1--       2.708                  4.047                  2.061
 ROA1   Fr= 1--      27.932                  0.649                 -4.108
 CID1   Fr= 1--      10.315                  0.160                 -1.993
 Raman2 Fr= 1--       1.136                  1.317                  0.267
 ROA2   Fr= 1--       4.107                 -0.639                 -0.606
 CID2   Fr= 1--       3.616                 -0.485                 -2.271
 Raman3 Fr= 1--       2.271                  2.634                  0.534
 ROA3   Fr= 1--      27.932                  0.649                 -4.108
 CID3   Fr= 1--      12.299                  0.246                 -7.694
 RC180  Fr= 1--       0.677                  0.302                 -0.482
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.11    -0.01  -0.03   0.03    -0.02   0.04  -0.01
     2   6     0.00   0.02  -0.08    -0.05  -0.00   0.07    -0.00   0.01  -0.03
     3   6    -0.02  -0.02  -0.09    -0.01  -0.02  -0.00    -0.01   0.03   0.00
     4   6     0.04  -0.03  -0.03     0.01   0.01  -0.01    -0.00   0.02   0.02
     5   8     0.02   0.02   0.09    -0.00   0.02  -0.02     0.01   0.01  -0.01
     6   6     0.02   0.01  -0.02    -0.02   0.01   0.04     0.00  -0.00  -0.01
     7   8     0.13  -0.01   0.00     0.08   0.06  -0.06    -0.04   0.01   0.04
     8   1    -0.07   0.07  -0.09    -0.02  -0.09   0.03    -0.01   0.08  -0.00
     9   8    -0.03  -0.10   0.01    -0.04   0.01  -0.04    -0.01  -0.08  -0.03
    10   1     0.07   0.06  -0.08    -0.13   0.01   0.08     0.00   0.03  -0.03
    11   1    -0.11  -0.08  -0.08     0.03  -0.01  -0.01    -0.03   0.05   0.01
    12   8    -0.09   0.11   0.07    -0.08   0.02  -0.03     0.06  -0.01  -0.01
    13   6     0.04  -0.03   0.01     0.01  -0.01   0.01    -0.01  -0.03   0.00
    14   1     0.05  -0.15  -0.05     0.04   0.01  -0.01     0.01   0.04   0.02
    15   8    -0.08   0.08   0.01     0.07  -0.07  -0.00     0.02   0.00   0.01
    16   1     0.11  -0.05  -0.03    -0.07   0.05   0.06    -0.01  -0.02  -0.00
    17   1     0.05  -0.29   0.65     0.06   0.02   0.12     0.01   0.24  -0.33
    18   1     0.02   0.01   0.38    -0.08   0.05  -0.00    -0.06   0.22   0.67
    19   1    -0.27   0.02   0.09     0.47  -0.02   0.65     0.04   0.02  -0.10
    20   8     0.03  -0.02   0.01     0.02  -0.00   0.01     0.03  -0.01   0.00
    21   1     0.05  -0.03   0.01     0.02  -0.01   0.01     0.04  -0.07  -0.04
    22   1     0.05  -0.03   0.02     0.00  -0.01   0.01    -0.08  -0.06   0.01
    23   1    -0.22   0.04   0.01    -0.29   0.06  -0.38    -0.38   0.06  -0.29
    24   1    -0.06   0.06   0.02     0.03  -0.01   0.01    -0.09   0.11   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    323.1681               341.8798               356.3629
 Red. masses --      2.3306                 2.4883                 1.4766
 Frc consts  --      0.1434                 0.1714                 0.1105
 IR Inten    --     67.9681               123.0013               186.2317
 RamAct Fr= 1--      0.3254                 0.4738                 1.3640
  Dep-P Fr= 1--      0.5453                 0.0538                 0.6592
  Dep-U Fr= 1--      0.7058                 0.1022                 0.7946
 Alpha2 Fr= 1--      0.0013                 0.0093                 0.0022
 Beta2  Fr= 1--      0.0383                 0.0081                 0.1806
 AlphaG Fr= 1--     -0.0008                -0.0102                 0.0001
 Gamma2 Fr= 1--     -0.3199                 0.0677                 0.1892
 Delta2 Fr= 1--     -0.2112                 0.0355                 0.1464
 Raman1 Fr= 1--       1.302                  1.895                  5.456
 ROA1   Fr= 1--     -37.463                  7.637                 22.846
 CID1   Fr= 1--     -28.779                  4.030                  4.187
 Raman2 Fr= 1--       0.459                  0.097                  2.168
 ROA2   Fr= 1--      -5.987                  1.341                  3.369
 CID2   Fr= 1--     -13.033                 13.846                  1.554
 Raman3 Fr= 1--       0.919                  0.194                  4.335
 ROA3   Fr= 1--     -37.463                  7.637                 22.846
 CID3   Fr= 1--     -40.777                 39.432                  5.270
 RC180  Fr= 1--       0.412                 -0.796                  0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03   0.09    -0.04   0.04  -0.08    -0.03  -0.01  -0.02
     2   6    -0.01   0.02   0.09    -0.06   0.01  -0.06    -0.05   0.00  -0.02
     3   6    -0.01  -0.01   0.07    -0.02   0.02  -0.05    -0.03  -0.02   0.00
     4   6    -0.02   0.01   0.02    -0.02   0.02  -0.00     0.02   0.00   0.01
     5   8     0.01  -0.03  -0.08    -0.04   0.08   0.04     0.00  -0.00  -0.03
     6   6     0.02   0.06   0.04    -0.03  -0.02  -0.02    -0.02  -0.00  -0.01
     7   8     0.02   0.14  -0.06     0.03   0.01   0.03     0.01  -0.00   0.00
     8   1    -0.00  -0.06   0.07    -0.08   0.10  -0.06    -0.03   0.01  -0.01
     9   8     0.00  -0.12  -0.09    -0.09   0.05   0.06    -0.06   0.04   0.03
    10   1    -0.12   0.02   0.11     0.00   0.04  -0.07    -0.03  -0.00  -0.02
    11   1     0.02   0.02   0.07    -0.11  -0.01  -0.04    -0.07  -0.00   0.01
    12   8     0.02  -0.08  -0.01     0.12  -0.02   0.03     0.01  -0.06  -0.00
    13   6    -0.03  -0.02  -0.01    -0.03  -0.02   0.02     0.05   0.06   0.02
    14   1    -0.02   0.10   0.03     0.01  -0.02  -0.01     0.06   0.02   0.01
    15   8     0.03   0.02  -0.03     0.15  -0.11   0.02     0.02  -0.01   0.01
    16   1    -0.06   0.16   0.06    -0.03  -0.09  -0.02    -0.02  -0.02  -0.01
    17   1    -0.07  -0.30   0.61     0.00  -0.10   0.33     0.00  -0.01   0.09
    18   1     0.00  -0.03   0.13    -0.01  -0.14  -0.29    -0.04  -0.04  -0.15
    19   1    -0.26  -0.02  -0.47    -0.20   0.02  -0.41    -0.01  -0.03  -0.10
    20   8    -0.01   0.01  -0.00     0.01  -0.00   0.02     0.09  -0.05  -0.00
    21   1     0.00  -0.05  -0.04    -0.00  -0.05  -0.00    -0.01   0.11   0.06
    22   1    -0.08  -0.05   0.01    -0.06  -0.04   0.03     0.09   0.11  -0.05
    23   1     0.16   0.05   0.00    -0.24   0.02  -0.38    -0.00  -0.00  -0.00
    24   1    -0.00   0.01   0.02     0.32  -0.31  -0.04    -0.63   0.67   0.18
                     16                     17                     18
                      A                      A                      A
 Frequencies --    411.4587               424.7510               453.6450
 Red. masses --      4.3155                 5.9645                 5.6014
 Frc consts  --      0.4305                 0.6340                 0.6792
 IR Inten    --     14.8554                 3.7084                 8.3335
 RamAct Fr= 1--      3.3455                 3.7185                 3.7680
  Dep-P Fr= 1--      0.6916                 0.5959                 0.0844
  Dep-U Fr= 1--      0.8177                 0.7468                 0.1557
 Alpha2 Fr= 1--      0.0034                 0.0106                 0.0685
 Beta2  Fr= 1--      0.4559                 0.4628                 0.0978
 AlphaG Fr= 1--      0.0026                 0.0006                -0.0271
 Gamma2 Fr= 1--     -0.2535                -0.1330                -0.1836
 Delta2 Fr= 1--     -0.0381                -0.0575                -0.0334
 Raman1 Fr= 1--      13.382                 14.874                 15.072
 ROA1   Fr= 1--     -25.556                -14.611                -18.692
 CID1   Fr= 1--      -1.910                 -0.982                 -1.240
 Raman2 Fr= 1--       5.471                  5.554                  1.173
 ROA2   Fr= 1--      -5.779                 -2.733                 -4.138
 CID2   Fr= 1--      -1.056                 -0.492                 -3.527
 Raman3 Fr= 1--      10.942                 11.108                  2.347
 ROA3   Fr= 1--     -25.556                -14.611                -18.692
 CID3   Fr= 1--      -2.336                 -1.315                 -7.966
 RC180  Fr= 1--       0.635                  0.494                 -0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.02  -0.00     0.09  -0.17   0.07     0.08  -0.11   0.04
     2   6    -0.06   0.08   0.11    -0.14  -0.07   0.12    -0.04  -0.03  -0.16
     3   6    -0.04  -0.15  -0.12     0.20   0.04  -0.01     0.03  -0.08   0.24
     4   6     0.10  -0.10  -0.14     0.10   0.09  -0.08     0.01   0.08   0.11
     5   8     0.09   0.02   0.03    -0.09   0.20  -0.02     0.01   0.13   0.05
     6   6     0.08   0.17   0.09    -0.15   0.06   0.07     0.06   0.06  -0.18
     7   8    -0.15  -0.06   0.04     0.03  -0.17  -0.06     0.08  -0.09  -0.06
     8   1    -0.20  -0.04   0.02     0.10  -0.29   0.04     0.36  -0.07  -0.01
     9   8    -0.05   0.06  -0.02    -0.15  -0.13  -0.04    -0.10  -0.00   0.07
    10   1    -0.13   0.17   0.12    -0.26  -0.07   0.13     0.03  -0.23  -0.19
    11   1    -0.05  -0.31  -0.12     0.29   0.02  -0.04     0.07   0.03   0.23
    12   8    -0.03  -0.11   0.05     0.19   0.09  -0.02    -0.14  -0.19  -0.06
    13   6     0.12  -0.05  -0.02     0.11   0.05  -0.00    -0.02   0.00  -0.05
    14   1     0.12  -0.22  -0.16     0.12   0.10  -0.07    -0.10   0.26   0.14
    15   8     0.10   0.16  -0.02    -0.14   0.01   0.00     0.12   0.20   0.06
    16   1     0.09   0.30   0.10    -0.22   0.14   0.09     0.17  -0.10  -0.20
    17   1    -0.12   0.01  -0.23     0.03  -0.22  -0.11     0.08  -0.09  -0.04
    18   1    -0.08   0.07  -0.03    -0.14  -0.09   0.09    -0.02  -0.02   0.14
    19   1    -0.14  -0.14  -0.00     0.02   0.09  -0.20     0.06  -0.12  -0.01
    20   8    -0.03   0.01   0.01    -0.01   0.02   0.01    -0.09   0.04  -0.05
    21   1     0.14  -0.05   0.01     0.09   0.10   0.09     0.05  -0.07  -0.09
    22   1     0.20  -0.07   0.05     0.21   0.09  -0.01    -0.13  -0.05  -0.04
    23   1    -0.01   0.22  -0.18     0.04   0.01   0.09    -0.22   0.10   0.03
    24   1     0.12  -0.17  -0.09     0.02  -0.05  -0.09     0.05  -0.11  -0.12
                     19                     20                     21
                      A                      A                      A
 Frequencies --    516.4103               566.7815               592.1665
 Red. masses --      5.3657                 3.2718                 3.9274
 Frc consts  --      0.8431                 0.6193                 0.8114
 IR Inten    --     42.5909                 7.3526                43.2774
 RamAct Fr= 1--     13.8594                 1.2160                 0.3658
  Dep-P Fr= 1--      0.1040                 0.2792                 0.7055
  Dep-U Fr= 1--      0.1885                 0.4365                 0.8273
 Alpha2 Fr= 1--      0.2403                 0.0133                 0.0003
 Beta2  Fr= 1--      0.4353                 0.0885                 0.0504
 AlphaG Fr= 1--      0.0174                 0.0051                -0.0001
 Gamma2 Fr= 1--      0.2462                 0.1117                 0.1717
 Delta2 Fr= 1--     -0.0220                 0.1343                 0.0196
 Raman1 Fr= 1--      55.438                  4.864                  1.463
 ROA1   Fr= 1--      22.931                 15.021                 17.115
 CID1   Fr= 1--       0.414                  3.088                 11.697
 Raman2 Fr= 1--       5.224                  1.062                  0.605
 ROA2   Fr= 1--       6.085                  1.607                  3.965
 CID2   Fr= 1--       1.165                  1.514                  6.550
 Raman3 Fr= 1--      10.447                  2.123                  1.211
 ROA3   Fr= 1--      22.931                 15.021                 17.115
 CID3   Fr= 1--       2.195                  7.075                 14.138
 RC180  Fr= 1--      -0.623                 -0.127                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.15    -0.13  -0.06  -0.06    -0.08  -0.05   0.16
     2   6    -0.11  -0.03  -0.11    -0.04  -0.07   0.06     0.04  -0.18   0.03
     3   6     0.12  -0.00   0.05    -0.13   0.07  -0.00    -0.06  -0.04  -0.11
     4   6     0.14  -0.07  -0.05     0.06   0.18   0.05    -0.03   0.03  -0.14
     5   8     0.12  -0.11   0.03     0.18   0.00  -0.04    -0.05   0.18   0.06
     6   6     0.05  -0.14  -0.08     0.10  -0.06   0.07     0.01  -0.06  -0.16
     7   8    -0.10   0.23   0.01     0.07  -0.05  -0.01    -0.02   0.14  -0.02
     8   1     0.13   0.15   0.13    -0.29  -0.13  -0.04    -0.29  -0.15   0.18
     9   8    -0.21   0.04   0.06    -0.02   0.07  -0.00     0.14   0.01  -0.01
    10   1    -0.15  -0.23  -0.13    -0.08  -0.03   0.07     0.03  -0.57  -0.02
    11   1     0.29  -0.02   0.02    -0.31   0.17   0.04     0.04  -0.23  -0.13
    12   8     0.02   0.07  -0.02     0.05  -0.05   0.00     0.02  -0.06   0.03
    13   6     0.20  -0.05  -0.06     0.03  -0.01  -0.01    -0.02   0.01   0.04
    14   1     0.04  -0.09  -0.03     0.05   0.26   0.06     0.06  -0.10  -0.16
    15   8    -0.07  -0.06   0.02    -0.12  -0.00  -0.02    -0.02   0.04   0.04
    16   1     0.19  -0.30  -0.11     0.13  -0.04   0.07     0.05  -0.17  -0.17
    17   1    -0.12   0.05   0.03     0.08   0.15   0.11    -0.03   0.13   0.02
    18   1    -0.16  -0.02  -0.01    -0.16   0.12  -0.08    -0.07   0.14  -0.03
    19   1    -0.04   0.04  -0.02     0.16   0.05  -0.11     0.01  -0.05  -0.01
    20   8    -0.08   0.04  -0.02    -0.03   0.00  -0.01     0.05  -0.03   0.04
    21   1     0.22  -0.05  -0.02     0.30  -0.25  -0.12     0.01  -0.01   0.05
    22   1     0.27  -0.07   0.01    -0.31  -0.17   0.04    -0.03  -0.00   0.05
    23   1    -0.15  -0.16   0.14    -0.08  -0.08   0.13    -0.16  -0.10   0.18
    24   1    -0.01  -0.09  -0.18     0.08  -0.13  -0.11     0.03   0.02   0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    629.2083               717.3534               908.9100
 Red. masses --      5.2566                 3.9746                 3.0844
 Frc consts  --      1.2262                 1.2051                 1.5013
 IR Inten    --     48.1941                 4.4268                55.7140
 RamAct Fr= 1--      0.0293                 0.5056                 5.5782
  Dep-P Fr= 1--      0.6450                 0.3821                 0.3560
  Dep-U Fr= 1--      0.7842                 0.5529                 0.5251
 Alpha2 Fr= 1--      0.0001                 0.0040                 0.0480
 Beta2  Fr= 1--      0.0038                 0.0466                 0.4882
 AlphaG Fr= 1--      0.0001                 0.0054                -0.0357
 Gamma2 Fr= 1--      0.0443                 0.0829                -0.3843
 Delta2 Fr= 1--      0.0326                 0.0017                -0.9434
 Raman1 Fr= 1--       0.117                  2.022                 22.313
 ROA1   Fr= 1--       5.296                  8.011                -67.084
 CID1   Fr= 1--      45.207                  3.961                 -3.007
 Raman2 Fr= 1--       0.046                  0.559                  5.858
 ROA2   Fr= 1--       0.802                  1.976                 -1.676
 CID2   Fr= 1--      17.467                  3.534                 -0.286
 Raman3 Fr= 1--       0.092                  1.118                 11.717
 ROA3   Fr= 1--       5.296                  8.011                -67.084
 CID3   Fr= 1--      57.650                  7.164                 -5.725
 RC180  Fr= 1--       0.568                  0.106                  0.050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.10  -0.09    -0.12  -0.03  -0.04    -0.01  -0.03  -0.05
     2   6     0.07   0.11  -0.06     0.01  -0.06   0.05    -0.01  -0.02   0.02
     3   6    -0.01  -0.08   0.07    -0.07   0.07   0.02     0.07  -0.06  -0.06
     4   6     0.11   0.11  -0.06     0.11  -0.09   0.19     0.15  -0.09   0.18
     5   8    -0.04   0.21   0.00    -0.16  -0.05   0.02     0.04   0.12  -0.06
     6   6    -0.10  -0.03   0.09    -0.12   0.05  -0.10     0.05  -0.00   0.01
     7   8    -0.05   0.06   0.05     0.01   0.01   0.01    -0.03   0.06   0.04
     8   1     0.20   0.25  -0.09    -0.32  -0.09  -0.01    -0.12   0.01  -0.02
     9   8     0.11  -0.04  -0.00     0.11  -0.01  -0.02    -0.00   0.00  -0.00
    10   1     0.18   0.35  -0.03     0.08  -0.18   0.02    -0.00   0.02   0.02
    11   1    -0.06  -0.17   0.08    -0.31   0.33   0.08    -0.05   0.07  -0.02
    12   8    -0.14  -0.19   0.01     0.03   0.03   0.00    -0.00  -0.00   0.00
    13   6     0.19  -0.01  -0.03     0.24  -0.06  -0.07    -0.15  -0.07   0.08
    14   1     0.12   0.19  -0.05     0.05  -0.05   0.20     0.58  -0.03   0.13
    15   8    -0.14  -0.20  -0.00     0.07   0.03   0.03    -0.04  -0.03   0.00
    16   1    -0.19  -0.09   0.10    -0.20   0.08  -0.08     0.03  -0.02   0.02
    17   1    -0.05  -0.02  -0.00     0.02   0.16   0.10    -0.03   0.01  -0.00
    18   1     0.22  -0.08   0.04    -0.02   0.07  -0.04    -0.05   0.03  -0.02
    19   1    -0.06  -0.14  -0.03     0.08   0.07  -0.04    -0.14  -0.11   0.12
    20   8    -0.03   0.01   0.00    -0.09   0.05  -0.07    -0.04   0.04  -0.15
    21   1     0.32  -0.11  -0.01     0.16   0.02  -0.06    -0.51   0.20   0.08
    22   1     0.11  -0.08   0.03     0.36  -0.03  -0.06     0.06   0.15  -0.15
    23   1     0.08  -0.10  -0.05     0.03   0.06  -0.03    -0.05  -0.07   0.05
    24   1    -0.01  -0.06  -0.15    -0.09  -0.03  -0.27     0.07   0.06   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --    921.7400              1010.5218              1019.4174
 Red. masses --      2.0134                 3.9705                 3.9565
 Frc consts  --      1.0079                 2.3888                 2.4225
 IR Inten    --      9.0096               189.5161                86.1098
 RamAct Fr= 1--      2.5149                 0.7311                 1.6815
  Dep-P Fr= 1--      0.2725                 0.1896                 0.3279
  Dep-U Fr= 1--      0.4283                 0.3187                 0.4938
 Alpha2 Fr= 1--      0.0280                 0.0102                 0.0158
 Beta2  Fr= 1--      0.1795                 0.0388                 0.1384
 AlphaG Fr= 1--     -0.0395                 0.0150                -0.0298
 Gamma2 Fr= 1--      0.0020                 0.4447                 0.7585
 Delta2 Fr= 1--      0.4507                 0.7612                 0.8112
 Raman1 Fr= 1--      10.059                  2.924                  6.726
 ROA1   Fr= 1--      14.617                 67.053                 98.776
 CID1   Fr= 1--       1.453                 22.929                 14.686
 Raman2 Fr= 1--       2.154                  0.466                  1.661
 ROA2   Fr= 1--      -3.556                  4.585                 11.716
 CID2   Fr= 1--      -1.651                  9.838                  7.055
 Raman3 Fr= 1--       4.309                  0.932                  3.321
 ROA3   Fr= 1--      14.617                 67.053                 98.776
 CID3   Fr= 1--       3.392                 71.940                 29.739
 RC180  Fr= 1--      -0.143                 -0.363                 -0.012
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.02     0.07   0.09   0.20     0.23   0.04  -0.16
     2   6    -0.00  -0.01  -0.01     0.13   0.16   0.08     0.11  -0.16   0.16
     3   6    -0.02   0.07   0.11    -0.12   0.15  -0.09     0.01   0.10  -0.11
     4   6    -0.06  -0.07  -0.08     0.03  -0.01  -0.01    -0.07  -0.02   0.06
     5   8     0.01   0.08  -0.04    -0.03  -0.01   0.02     0.00   0.04  -0.02
     6   6     0.09  -0.02   0.04     0.08   0.01  -0.13    -0.02  -0.09   0.00
     7   8     0.02  -0.03  -0.01     0.05  -0.11  -0.07    -0.01   0.09   0.08
     8   1     0.00  -0.01  -0.04    -0.11  -0.11   0.19     0.08   0.11  -0.11
     9   8     0.00   0.01   0.01    -0.12   0.02  -0.04    -0.13  -0.01  -0.03
    10   1     0.00   0.06   0.00    -0.07  -0.05   0.07     0.05  -0.14   0.16
    11   1    -0.06   0.13   0.12    -0.15   0.10  -0.08    -0.30   0.17  -0.03
    12   8    -0.00   0.01  -0.00    -0.05  -0.07   0.07    -0.07  -0.08   0.05
    13   6     0.02  -0.15  -0.06     0.02  -0.05   0.07     0.04  -0.01  -0.07
    14   1    -0.25   0.09  -0.05     0.22  -0.22  -0.05    -0.21   0.01   0.06
    15   8    -0.02  -0.00  -0.01    -0.02  -0.08   0.03     0.03   0.07  -0.03
    16   1     0.10  -0.02   0.04     0.05  -0.05  -0.13    -0.05   0.11   0.02
    17   1     0.02   0.12   0.09     0.05  -0.26  -0.19    -0.03  -0.41  -0.30
    18   1    -0.04   0.03  -0.01     0.37  -0.21   0.17    -0.36   0.10  -0.13
    19   1     0.14   0.12  -0.12     0.22   0.17  -0.21    -0.01  -0.04   0.02
    20   8     0.01   0.01   0.05    -0.02   0.02  -0.08     0.00  -0.00   0.06
    21   1    -0.36   0.23   0.24    -0.03   0.01   0.11    -0.00   0.02  -0.05
    22   1     0.61   0.11  -0.13     0.11   0.02  -0.00     0.09  -0.01  -0.03
    23   1    -0.04  -0.03   0.03    -0.11  -0.16   0.11    -0.14  -0.11   0.16
    24   1     0.07   0.04   0.26     0.04   0.03   0.07    -0.03  -0.02  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.0673              1061.3651              1069.0915
 Red. masses --      2.9347                 4.4285                 4.8706
 Frc consts  --      1.8596                 2.9392                 3.2799
 IR Inten    --     59.7211                49.4609               283.5500
 RamAct Fr= 1--      0.9972                12.0876                 2.5391
  Dep-P Fr= 1--      0.7428                 0.1447                 0.5335
  Dep-U Fr= 1--      0.8524                 0.2529                 0.6958
 Alpha2 Fr= 1--      0.0001                 0.1894                 0.0106
 Beta2  Fr= 1--      0.1417                 0.5094                 0.2945
 AlphaG Fr= 1--      0.0023                 0.1096                -0.0150
 Gamma2 Fr= 1--      1.2783                -0.9742                -1.8256
 Delta2 Fr= 1--      0.8244                -0.6951                -0.1409
 Raman1 Fr= 1--       3.989                 48.351                 10.156
 ROA1   Fr= 1--     149.101               -115.769               -179.771
 CID1   Fr= 1--      37.382                 -2.394                -17.701
 Raman2 Fr= 1--       1.700                  6.113                  3.533
 ROA2   Fr= 1--      24.085                -17.820                -42.688
 CID2   Fr= 1--      14.168                 -2.915                -12.081
 Raman3 Fr= 1--       3.400                 12.226                  7.067
 ROA3   Fr= 1--     149.101               -115.769               -179.771
 CID3   Fr= 1--      43.855                 -9.469                -25.438
 RC180  Fr= 1--       0.705                 -0.494                  0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00   0.02     0.07  -0.02   0.13     0.05   0.07   0.11
     2   6     0.01   0.14   0.09     0.00  -0.10  -0.21    -0.07   0.00  -0.08
     3   6     0.04  -0.12  -0.03    -0.11  -0.02  -0.11    -0.09   0.05  -0.05
     4   6    -0.10  -0.07   0.14    -0.11  -0.07   0.12    -0.02  -0.17   0.07
     5   8     0.02   0.10  -0.06    -0.12   0.08  -0.12     0.30   0.09  -0.01
     6   6     0.09  -0.04  -0.11     0.22   0.07   0.23    -0.30   0.07  -0.00
     7   8    -0.01  -0.03  -0.01     0.02   0.01  -0.02     0.03  -0.04  -0.04
     8   1    -0.21  -0.11   0.03     0.12   0.11   0.13     0.05   0.10   0.11
     9   8    -0.02   0.01  -0.02    -0.00   0.01   0.04     0.06  -0.02   0.02
    10   1    -0.03   0.23   0.11    -0.12  -0.23  -0.21    -0.08  -0.32  -0.12
    11   1     0.06   0.00  -0.03    -0.09   0.04  -0.10    -0.17   0.13  -0.03
    12   8     0.05   0.05  -0.03     0.03   0.02   0.00    -0.01  -0.00   0.03
    13   6     0.04   0.05  -0.13     0.11   0.02   0.03    -0.05  -0.00  -0.13
    14   1    -0.29   0.05   0.16    -0.10  -0.17   0.11     0.11  -0.18   0.04
    15   8    -0.01  -0.05  -0.00    -0.05  -0.01   0.01    -0.02  -0.01   0.02
    16   1     0.11  -0.06  -0.11     0.16  -0.02   0.22    -0.16  -0.08  -0.01
    17   1    -0.01   0.05   0.04     0.01  -0.23  -0.16     0.02  -0.16  -0.10
    18   1     0.22  -0.10   0.09    -0.00   0.00   0.02     0.03  -0.02  -0.02
    19   1    -0.27  -0.21   0.24    -0.06  -0.04   0.06     0.13   0.12  -0.12
    20   8     0.01  -0.02   0.12    -0.01   0.00  -0.02     0.01  -0.01   0.10
    21   1     0.01   0.01  -0.27     0.11  -0.05  -0.18    -0.23   0.08  -0.26
    22   1    -0.08  -0.07  -0.01    -0.03  -0.09   0.11    -0.00  -0.04  -0.03
    23   1    -0.22  -0.28   0.25     0.21   0.24  -0.25     0.25   0.24  -0.23
    24   1    -0.12  -0.04  -0.22    -0.11  -0.01  -0.27    -0.06  -0.06  -0.16
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1080.9142              1095.7069              1106.6933
 Red. masses --      3.2379                 2.0236                 2.5428
 Frc consts  --      2.2289                 1.4314                 1.8349
 IR Inten    --    265.7412               180.2779               127.1125
 RamAct Fr= 1--      3.8763                 0.9536                 8.5746
  Dep-P Fr= 1--      0.6723                 0.1388                 0.7440
  Dep-U Fr= 1--      0.8040                 0.2437                 0.8532
 Alpha2 Fr= 1--      0.0053                 0.0152                 0.0009
 Beta2  Fr= 1--      0.5195                 0.0387                 1.2193
 AlphaG Fr= 1--      0.0001                -0.0013                -0.0017
 Gamma2 Fr= 1--      0.3773                 0.3671                -1.4009
 Delta2 Fr= 1--     -0.5151                -0.0378                -1.0141
 Raman1 Fr= 1--      15.505                  3.814                 34.299
 ROA1   Fr= 1--      19.737                 34.028               -166.934
 CID1   Fr= 1--       1.273                  8.921                 -4.867
 Raman2 Fr= 1--       6.234                  0.465                 14.631
 ROA2   Fr= 1--      13.176                  9.112                -25.508
 CID2   Fr= 1--       2.114                 19.603                 -1.743
 Raman3 Fr= 1--      12.467                  0.930                 29.263
 ROA3   Fr= 1--      19.737                 34.028               -166.934
 CID3   Fr= 1--       1.583                 36.603                 -5.705
 RC180  Fr= 1--       0.608                 -0.513                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.09  -0.02     0.05  -0.08   0.04    -0.07   0.25   0.01
     2   6    -0.11  -0.00   0.10    -0.01   0.05  -0.03     0.05  -0.08   0.04
     3   6    -0.16  -0.09   0.11    -0.06  -0.09  -0.08     0.08  -0.06  -0.02
     4   6    -0.08  -0.11  -0.03    -0.08   0.11   0.05    -0.05   0.04   0.05
     5   8     0.04   0.08  -0.02     0.06  -0.02   0.01     0.03  -0.01   0.00
     6   6    -0.02  -0.09  -0.04    -0.09  -0.04   0.00    -0.00   0.08  -0.02
     7   8     0.02  -0.03  -0.00    -0.00   0.04   0.02     0.02  -0.11  -0.07
     8   1     0.41   0.18  -0.08    -0.07  -0.08   0.07    -0.07   0.29   0.01
     9   8     0.06  -0.03   0.02     0.01   0.00   0.00    -0.02  -0.02  -0.00
    10   1    -0.10   0.19   0.12    -0.07   0.05  -0.03     0.13  -0.35  -0.00
    11   1    -0.12  -0.17   0.09    -0.13  -0.01  -0.06     0.21  -0.11  -0.04
    12   8     0.04   0.09  -0.06     0.04   0.03  -0.02     0.00  -0.01  -0.01
    13   6     0.06   0.02   0.17     0.06  -0.09   0.04     0.03  -0.03   0.03
    14   1     0.07  -0.19  -0.05    -0.31   0.31   0.09    -0.20   0.11   0.07
    15   8     0.03   0.04  -0.04     0.02   0.03  -0.02    -0.03  -0.03   0.04
    16   1     0.05  -0.01  -0.04    -0.05  -0.10  -0.00    -0.01   0.10  -0.01
    17   1     0.02  -0.14  -0.09    -0.01  -0.20  -0.14     0.03   0.08   0.06
    18   1    -0.20   0.09  -0.10     0.23  -0.10   0.08    -0.40   0.16  -0.15
    19   1     0.12   0.15  -0.10    -0.16  -0.13   0.15    -0.27  -0.23   0.22
    20   8    -0.01   0.01  -0.12    -0.02   0.02  -0.05    -0.01   0.01  -0.04
    21   1     0.17  -0.11   0.01     0.12   0.00   0.45     0.10  -0.02   0.22
    22   1    -0.05  -0.11   0.26     0.18   0.11  -0.20     0.05   0.04  -0.07
    23   1    -0.23  -0.24   0.26     0.05   0.05  -0.03     0.07   0.08  -0.09
    24   1    -0.03   0.02  -0.14     0.14   0.06   0.37     0.06   0.03   0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1113.9386              1122.4853              1149.0744
 Red. masses --      3.3548                 4.1413                 3.6982
 Frc consts  --      2.4526                 3.0743                 2.8770
 IR Inten    --     71.2725                52.1620                30.0311
 RamAct Fr= 1--     10.4703                10.6930                 4.3201
  Dep-P Fr= 1--      0.7477                 0.4116                 0.5901
  Dep-U Fr= 1--      0.8557                 0.5832                 0.7422
 Alpha2 Fr= 1--      0.0004                 0.0759                 0.0129
 Beta2  Fr= 1--      1.4932                 1.0394                 0.5344
 AlphaG Fr= 1--     -0.0044                 0.0111                 0.0077
 Gamma2 Fr= 1--      0.7353                -2.0925                 2.4095
 Delta2 Fr= 1--     -0.2367                -1.7614                 1.7821
 Raman1 Fr= 1--      41.881                 42.772                 17.280
 ROA1   Fr= 1--      63.013               -257.246                288.335
 CID1   Fr= 1--       1.505                 -6.014                 16.686
 Raman2 Fr= 1--      17.918                 12.472                  6.413
 ROA2   Fr= 1--      19.541                -36.130                 43.571
 CID2   Fr= 1--       1.091                 -2.897                  6.794
 Raman3 Fr= 1--      35.836                 24.945                 12.826
 ROA3   Fr= 1--      63.013               -257.246                288.335
 CID3   Fr= 1--       1.758                -10.313                 22.481
 RC180  Fr= 1--       0.711                  0.166                  0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.06   0.01    -0.04   0.02   0.04     0.04  -0.14  -0.12
     2   6     0.26  -0.02  -0.03    -0.19   0.05  -0.04    -0.07   0.02   0.02
     3   6     0.05   0.01   0.06     0.20   0.21  -0.14     0.08   0.07   0.01
     4   6    -0.09  -0.10  -0.01    -0.10  -0.00   0.05    -0.11  -0.08  -0.03
     5   8     0.06   0.07  -0.02     0.01   0.01  -0.04     0.09   0.01  -0.01
     6   6    -0.12  -0.09   0.08    -0.03  -0.14   0.05     0.06   0.23  -0.13
     7   8    -0.02   0.00  -0.01    -0.01  -0.04  -0.03    -0.02   0.06   0.06
     8   1    -0.18  -0.22   0.01    -0.04   0.05   0.03    -0.04  -0.27  -0.12
     9   8    -0.13   0.04  -0.05     0.12  -0.02   0.04     0.02  -0.00   0.00
    10   1     0.34   0.05  -0.04    -0.28   0.29   0.02    -0.03  -0.27  -0.03
    11   1     0.15   0.01   0.05     0.43   0.23  -0.17    -0.05   0.21   0.05
    12   8     0.00   0.01  -0.00    -0.08  -0.13   0.10    -0.02  -0.02   0.02
    13   6     0.04   0.03   0.12     0.05  -0.01   0.08     0.03   0.03   0.12
    14   1    -0.08  -0.10  -0.02    -0.15  -0.14   0.04    -0.49  -0.17  -0.00
    15   8     0.02   0.06  -0.04     0.05   0.08  -0.06    -0.08  -0.14   0.10
    16   1    -0.15  -0.15   0.09     0.06  -0.18   0.02     0.13   0.28  -0.13
    17   1    -0.01   0.43   0.28     0.00   0.20   0.17    -0.03   0.05   0.04
    18   1     0.18  -0.11   0.08     0.03   0.02  -0.01     0.03   0.00   0.03
    19   1    -0.02  -0.02   0.03    -0.07  -0.12   0.06     0.01  -0.01   0.01
    20   8     0.00   0.00  -0.08    -0.00   0.01  -0.06     0.00  -0.00  -0.08
    21   1     0.11  -0.08  -0.04     0.10  -0.04   0.08     0.23  -0.12   0.11
    22   1    -0.03  -0.10   0.27     0.07  -0.03   0.11    -0.01  -0.08   0.25
    23   1     0.14   0.16  -0.12    -0.16  -0.16   0.19     0.09   0.06  -0.13
    24   1    -0.04   0.01  -0.17    -0.01   0.01  -0.08     0.03   0.03   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1207.3414              1236.8484              1242.7083
 Red. masses --      1.2593                 1.1800                 1.1714
 Frc consts  --      1.0815                 1.0636                 1.0658
 IR Inten    --      9.6961                65.3153                30.5379
 RamAct Fr= 1--      2.7168                 2.7077                 2.3920
  Dep-P Fr= 1--      0.0895                 0.6641                 0.7371
  Dep-U Fr= 1--      0.1643                 0.7981                 0.8486
 Alpha2 Fr= 1--      0.0488                 0.0041                 0.0005
 Beta2  Fr= 1--      0.0744                 0.3602                 0.3383
 AlphaG Fr= 1--     -0.0065                -0.0188                 0.0041
 Gamma2 Fr= 1--     -0.4302                -0.6553                 1.8685
 Delta2 Fr= 1--     -0.2479                -1.3677                 1.2985
 Raman1 Fr= 1--      10.867                 10.831                  9.568
 ROA1   Fr= 1--     -49.227               -106.678                220.925
 CID1   Fr= 1--      -4.530                 -9.849                 23.090
 Raman2 Fr= 1--       0.893                  4.322                  4.060
 ROA2   Fr= 1--      -8.341                 -4.786                 34.454
 CID2   Fr= 1--      -9.344                 -1.107                  8.487
 Raman3 Fr= 1--       1.785                  8.644                  8.119
 ROA3   Fr= 1--     -49.227               -106.678                220.925
 CID3   Fr= 1--     -27.573                -12.341                 27.209
 RC180  Fr= 1--      -0.671                  0.596                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.03    -0.03  -0.05   0.06     0.01  -0.01   0.03
     2   6     0.03  -0.03  -0.01     0.01   0.02  -0.02     0.01  -0.04  -0.02
     3   6    -0.05   0.02  -0.05    -0.00   0.00  -0.02    -0.05   0.00  -0.03
     4   6    -0.02   0.01   0.07    -0.01   0.02  -0.01     0.01   0.02  -0.04
     5   8     0.02   0.01  -0.01     0.01  -0.01   0.01     0.01  -0.01   0.03
     6   6     0.00   0.03  -0.03    -0.00   0.01  -0.04    -0.01   0.02   0.00
     7   8    -0.01   0.01  -0.00     0.02   0.02  -0.00    -0.02  -0.01  -0.01
     8   1     0.44   0.03  -0.04    -0.12   0.11   0.10     0.40   0.07  -0.03
     9   8    -0.01  -0.00  -0.00    -0.00  -0.03   0.00    -0.01   0.01  -0.00
    10   1     0.23   0.31   0.00     0.40   0.48  -0.01    -0.06  -0.02  -0.01
    11   1     0.27  -0.22  -0.12     0.05   0.14  -0.02    -0.11   0.38  -0.01
    12   8    -0.00   0.00   0.02     0.01  -0.00   0.01     0.03  -0.01  -0.01
    13   6     0.02  -0.01  -0.05    -0.00  -0.02   0.03    -0.01  -0.02   0.02
    14   1     0.03  -0.29   0.03    -0.05   0.18   0.00     0.05   0.18  -0.03
    15   8    -0.00  -0.02   0.01    -0.01  -0.01   0.02     0.01  -0.01  -0.00
    16   1    -0.10   0.24   0.00     0.04  -0.02  -0.05    -0.07   0.35   0.03
    17   1    -0.01   0.23   0.16     0.01  -0.25  -0.17    -0.01   0.25   0.18
    18   1    -0.17   0.07  -0.06    -0.43   0.17  -0.17     0.13  -0.06   0.05
    19   1     0.12   0.11  -0.11    -0.02  -0.02   0.02    -0.26  -0.24   0.23
    20   8    -0.01   0.00   0.01     0.01   0.00  -0.01     0.01   0.00   0.00
    21   1     0.13  -0.02   0.16    -0.16   0.05  -0.13    -0.17   0.05  -0.13
    22   1    -0.11   0.08  -0.25     0.14  -0.06   0.18     0.14  -0.05   0.14
    23   1    -0.07  -0.08   0.08     0.05   0.06  -0.06    -0.14  -0.17   0.16
    24   1     0.07   0.01   0.22    -0.07  -0.01  -0.21    -0.06  -0.01  -0.19
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1249.6593              1253.8131              1328.2494
 Red. masses --      1.3060                 1.2018                 1.2535
 Frc consts  --      1.2016                 1.1131                 1.3029
 IR Inten    --     58.3854                 4.6390                16.7894
 RamAct Fr= 1--      2.2004                 8.6232                 4.0782
  Dep-P Fr= 1--      0.7499                 0.7475                 0.4734
  Dep-U Fr= 1--      0.8571                 0.8555                 0.6426
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0227
 Beta2  Fr= 1--      0.3143                 1.2296                 0.4368
 AlphaG Fr= 1--     -0.0003                -0.0036                -0.0343
 Gamma2 Fr= 1--     -0.5291                 0.7970                 1.7764
 Delta2 Fr= 1--      0.0117                 0.2556                 1.4062
 Raman1 Fr= 1--       8.802                 34.493                 16.313
 ROA1   Fr= 1--     -50.419                 84.692                215.534
 CID1   Fr= 1--      -5.728                  2.455                 13.213
 Raman2 Fr= 1--       3.772                 14.755                  5.241
 ROA2   Fr= 1--     -12.792                 17.083                 31.384
 CID2   Fr= 1--      -3.392                  1.158                  5.988
 Raman3 Fr= 1--       7.543                 29.509                 10.482
 ROA3   Fr= 1--     -50.419                 84.692                215.534
 CID3   Fr= 1--      -6.684                  2.870                 20.562
 RC180  Fr= 1--       0.714                  0.711                  0.285
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00   0.04     0.01  -0.00   0.02     0.03  -0.00   0.02
     2   6     0.02  -0.04  -0.07    -0.01   0.04   0.04    -0.01   0.05  -0.01
     3   6     0.03  -0.00   0.04    -0.02   0.01   0.00     0.02  -0.03  -0.05
     4   6     0.04  -0.07  -0.03     0.03  -0.05  -0.04    -0.00  -0.07   0.00
     5   8     0.00   0.02  -0.00    -0.02   0.02  -0.01    -0.02  -0.00  -0.00
     6   6    -0.01   0.01   0.03     0.02  -0.03  -0.01    -0.03   0.02   0.05
     7   8     0.02   0.00  -0.02    -0.01  -0.01  -0.00    -0.02  -0.01  -0.01
     8   1    -0.36   0.18   0.13     0.24  -0.06  -0.03     0.03  -0.12   0.00
     9   8    -0.00   0.00   0.01     0.00  -0.02  -0.00    -0.00  -0.02  -0.00
    10   1    -0.01   0.19  -0.04     0.12   0.04   0.03     0.28  -0.24  -0.08
    11   1    -0.17   0.27   0.10    -0.15   0.50   0.05    -0.12  -0.00  -0.03
    12   8     0.00  -0.00  -0.00     0.02  -0.01  -0.00    -0.02   0.01   0.02
    13   6    -0.02   0.06  -0.02    -0.01   0.04  -0.03     0.00   0.03  -0.01
    14   1    -0.12  -0.10  -0.02     0.07  -0.10  -0.05     0.06   0.59   0.04
    15   8     0.02  -0.01  -0.02    -0.01   0.01   0.00     0.02  -0.01  -0.01
    16   1    -0.16   0.39   0.07     0.07  -0.40  -0.04     0.39   0.03  -0.00
    17   1     0.01  -0.20  -0.14    -0.00   0.10   0.07    -0.01   0.19   0.13
    18   1     0.02  -0.01   0.00    -0.17   0.07  -0.06    -0.16   0.06  -0.06
    19   1    -0.04  -0.04   0.04    -0.20  -0.18   0.18     0.21   0.19  -0.17
    20   8    -0.01  -0.01  -0.00    -0.01  -0.01   0.01    -0.01  -0.01  -0.00
    21   1     0.25  -0.09   0.13     0.22  -0.08   0.12     0.11  -0.04   0.02
    22   1    -0.16   0.03  -0.07    -0.15   0.05  -0.13    -0.04  -0.01   0.02
    23   1    -0.21  -0.24   0.23     0.17   0.20  -0.19    -0.15  -0.17   0.15
    24   1     0.10   0.01   0.29     0.09   0.01   0.25     0.04   0.00   0.12
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1332.1237              1345.5041              1349.5431
 Red. masses --      1.3042                 1.2811                 1.2768
 Frc consts  --      1.3636                 1.3665                 1.3701
 IR Inten    --     80.0251                21.6122                52.9711
 RamAct Fr= 1--      2.4540                 4.3960                 2.5259
  Dep-P Fr= 1--      0.4825                 0.6924                 0.6543
  Dep-U Fr= 1--      0.6509                 0.8182                 0.7910
 Alpha2 Fr= 1--      0.0131                 0.0044                 0.0043
 Beta2  Fr= 1--      0.2662                 0.5995                 0.3330
 AlphaG Fr= 1--     -0.0105                 0.0061                 0.0058
 Gamma2 Fr= 1--     -0.2648                -0.2328                -1.2032
 Delta2 Fr= 1--     -1.2911                -1.3733                 0.0967
 Raman1 Fr= 1--       9.816                 17.584                 10.104
 ROA1   Fr= 1--     -66.734                -66.291               -112.410
 CID1   Fr= 1--      -6.798                 -3.770                -11.126
 Raman2 Fr= 1--       3.195                  7.194                  3.996
 ROA2   Fr= 1--       3.974                  5.400                -29.650
 CID2   Fr= 1--       1.244                  0.751                 -7.420
 Raman3 Fr= 1--       6.390                 14.388                  7.992
 ROA3   Fr= 1--     -66.734                -66.291               -112.410
 CID3   Fr= 1--     -10.444                 -4.607                -14.065
 RC180  Fr= 1--       0.302                  0.636                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.03     0.05   0.02   0.01    -0.08  -0.02  -0.04
     2   6    -0.01   0.02  -0.02     0.03  -0.09  -0.01    -0.01  -0.05   0.05
     3   6    -0.03   0.04   0.06     0.01   0.01  -0.01    -0.03  -0.01  -0.01
     4   6    -0.10   0.01  -0.02    -0.05  -0.05  -0.01    -0.00  -0.05   0.00
     5   8     0.00  -0.01   0.00    -0.00   0.00   0.02    -0.00   0.01   0.01
     6   6    -0.03   0.02   0.03     0.00  -0.00  -0.06     0.00  -0.01  -0.01
     7   8     0.01   0.01   0.02    -0.01  -0.01  -0.01     0.03   0.01   0.00
     8   1    -0.17  -0.21  -0.03    -0.15  -0.02   0.04     0.18   0.39  -0.03
     9   8    -0.00  -0.00  -0.00     0.00   0.00   0.02    -0.01   0.03  -0.02
    10   1     0.15  -0.10  -0.05    -0.50   0.51   0.12     0.07  -0.04   0.04
    11   1     0.27   0.06   0.00    -0.10  -0.11   0.01     0.51   0.20  -0.12
    12   8     0.02  -0.01  -0.01    -0.01   0.00  -0.00    -0.00  -0.00   0.03
    13   6     0.04  -0.04  -0.01     0.02   0.01  -0.01    -0.00   0.03  -0.02
    14   1     0.59  -0.09  -0.11     0.28   0.36  -0.01     0.08   0.32   0.02
    15   8     0.01  -0.01  -0.00    -0.02  -0.00   0.04    -0.01   0.00   0.01
    16   1     0.31   0.12  -0.01     0.19   0.10  -0.08     0.10   0.01  -0.02
    17   1     0.01  -0.17  -0.11    -0.00   0.17   0.12     0.01  -0.27  -0.18
    18   1    -0.02   0.01  -0.01     0.02  -0.01   0.01     0.35  -0.14   0.13
    19   1    -0.18  -0.17   0.16     0.02   0.02  -0.01     0.07   0.06  -0.06
    20   8     0.00   0.02   0.02    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    21   1     0.05  -0.01   0.12     0.08  -0.03   0.02     0.08  -0.03  -0.03
    22   1    -0.11   0.09  -0.30    -0.05   0.02  -0.06     0.04  -0.04   0.11
    23   1    -0.08  -0.10   0.08     0.16   0.18  -0.16     0.08   0.09  -0.08
    24   1    -0.05  -0.00  -0.17     0.01   0.00   0.03     0.05   0.01   0.16
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1367.2942              1384.3880              1396.2062
 Red. masses --      1.2087                 1.2346                 1.3619
 Frc consts  --      1.3314                 1.3941                 1.5642
 IR Inten    --      3.3020                17.7052                 9.4326
 RamAct Fr= 1--      0.5550                 3.5469                 4.5629
  Dep-P Fr= 1--      0.7074                 0.7473                 0.5721
  Dep-U Fr= 1--      0.8286                 0.8554                 0.7278
 Alpha2 Fr= 1--      0.0004                 0.0002                 0.0153
 Beta2  Fr= 1--      0.0766                 0.5057                 0.5535
 AlphaG Fr= 1--      0.0009                -0.0033                -0.0226
 Gamma2 Fr= 1--     -0.3094                 0.2330                 0.9365
 Delta2 Fr= 1--     -0.4866                 1.5995                -0.3359
 Raman1 Fr= 1--       2.220                 14.188                 18.252
 ROA1   Fr= 1--     -45.276                 73.546                 79.151
 CID1   Fr= 1--     -20.395                  5.184                  4.337
 Raman2 Fr= 1--       0.920                  6.068                  6.642
 ROA2   Fr= 1--      -3.533                 -7.205                 25.162
 CID2   Fr= 1--      -3.841                 -1.187                  3.788
 Raman3 Fr= 1--       1.839                 12.136                 13.284
 ROA3   Fr= 1--     -45.276                 73.546                 79.151
 CID3   Fr= 1--     -24.614                  6.060                  5.958
 RC180  Fr= 1--       0.657                  0.711                  0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.02     0.02  -0.01   0.01     0.00   0.06  -0.01
     2   6    -0.03  -0.03   0.04    -0.02  -0.02   0.01     0.03  -0.04  -0.01
     3   6     0.07  -0.01  -0.00    -0.01   0.06   0.02    -0.05  -0.03   0.00
     4   6    -0.01   0.02  -0.01    -0.00   0.04   0.03     0.11   0.02  -0.00
     5   8    -0.01  -0.00  -0.02    -0.01  -0.01  -0.02    -0.02   0.01  -0.04
     6   6    -0.03  -0.00   0.00    -0.03   0.01   0.01    -0.08  -0.00   0.02
     7   8    -0.01  -0.00  -0.03    -0.00  -0.00  -0.01     0.00   0.00   0.01
     8   1     0.03   0.55   0.11    -0.05   0.05   0.04    -0.01  -0.34  -0.06
     9   8    -0.01   0.02  -0.02    -0.00   0.01  -0.01    -0.00   0.00   0.00
    10   1     0.23   0.02   0.03     0.17   0.06  -0.00    -0.12   0.17   0.03
    11   1    -0.40  -0.05   0.10    -0.14  -0.34   0.04     0.26   0.17  -0.06
    12   8    -0.01   0.00  -0.01     0.02  -0.01  -0.03     0.00  -0.00   0.01
    13   6     0.00  -0.03   0.03    -0.02   0.05  -0.06    -0.03  -0.01   0.02
    14   1    -0.05  -0.18  -0.02     0.15  -0.20  -0.01    -0.45  -0.21   0.04
    15   8    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.38   0.01  -0.06     0.35   0.01  -0.04     0.65   0.07  -0.09
    17   1    -0.00   0.08   0.05    -0.00   0.02   0.02     0.00  -0.03  -0.02
    18   1     0.21  -0.08   0.08     0.08  -0.03   0.03     0.04  -0.02   0.01
    19   1     0.05   0.04  -0.03    -0.18  -0.16   0.15     0.01   0.01  -0.01
    20   8     0.01   0.02   0.01    -0.02  -0.03  -0.02     0.01   0.01   0.00
    21   1    -0.02   0.01   0.13     0.08  -0.05  -0.15    -0.07   0.03   0.04
    22   1    -0.16   0.08  -0.24     0.40  -0.13   0.44    -0.06   0.01  -0.03
    23   1     0.04   0.05  -0.05    -0.01  -0.01   0.01    -0.01  -0.00   0.00
    24   1    -0.08  -0.01  -0.25     0.12   0.01   0.36    -0.02  -0.01  -0.08
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1420.8201              1427.9285              1441.3817
 Red. masses --      1.4142                 1.5384                 1.4007
 Frc consts  --      1.6820                 1.8482                 1.7145
 IR Inten    --     41.8155                13.5135                 1.3595
 RamAct Fr= 1--      4.9814                 7.3124                 2.9214
  Dep-P Fr= 1--      0.5959                 0.5438                 0.4998
  Dep-U Fr= 1--      0.7468                 0.7045                 0.6665
 Alpha2 Fr= 1--      0.0143                 0.0289                 0.0144
 Beta2  Fr= 1--      0.6200                 0.8586                 0.3245
 AlphaG Fr= 1--     -0.0005                 0.0285                -0.0034
 Gamma2 Fr= 1--      0.1343                -0.2911                -0.2083
 Delta2 Fr= 1--     -0.0699                 0.2422                -0.2104
 Raman1 Fr= 1--      19.926                 29.249                 11.686
 ROA1   Fr= 1--      10.654                -20.198                -26.728
 CID1   Fr= 1--       0.535                 -0.691                 -2.287
 Raman2 Fr= 1--       7.440                 10.303                  3.894
 ROA2   Fr= 1--       3.782                 -8.925                 -3.316
 CID2   Fr= 1--       0.508                 -0.866                 -0.852
 Raman3 Fr= 1--      14.880                 20.607                  7.788
 ROA3   Fr= 1--      10.654                -20.198                -26.728
 CID3   Fr= 1--       0.716                 -0.980                 -3.432
 RC180  Fr= 1--       0.494                  0.409                  0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01   0.01     0.10   0.03  -0.00     0.09  -0.08  -0.03
     2   6     0.07   0.04  -0.01    -0.08  -0.06   0.01     0.05   0.07   0.00
     3   6     0.05  -0.03  -0.02    -0.07   0.03   0.01    -0.07  -0.04   0.02
     4   6    -0.02   0.01   0.03     0.05  -0.05   0.01     0.00   0.03   0.01
     5   8    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.01
     6   6    -0.01  -0.01   0.00     0.03   0.03  -0.00    -0.01   0.01   0.00
     7   8     0.01   0.01   0.01    -0.02  -0.01  -0.01    -0.03  -0.01  -0.03
     8   1     0.28  -0.02  -0.06    -0.27  -0.04   0.05    -0.35   0.54   0.15
     9   8     0.00  -0.01   0.01    -0.01   0.02  -0.02     0.00  -0.02   0.02
    10   1    -0.32  -0.08   0.01     0.34   0.13  -0.01    -0.31  -0.18   0.01
    11   1    -0.15   0.05   0.02     0.20  -0.11  -0.05     0.34   0.22  -0.06
    12   8    -0.01   0.01   0.01     0.01  -0.00  -0.01     0.00   0.00   0.01
    13   6    -0.10  -0.00  -0.06    -0.09  -0.01  -0.03    -0.01  -0.00  -0.01
    14   1     0.14  -0.08   0.00    -0.09   0.15   0.05     0.03  -0.15  -0.01
    15   8    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    16   1     0.09   0.07  -0.01    -0.23  -0.16   0.03     0.09  -0.05  -0.01
    17   1     0.01  -0.15  -0.11    -0.01   0.16   0.12    -0.01   0.26   0.17
    18   1    -0.14   0.05  -0.06     0.17  -0.07   0.07    -0.24   0.09  -0.08
    19   1     0.07   0.07  -0.06    -0.06  -0.06   0.06     0.04   0.04  -0.03
    20   8     0.03   0.02   0.00     0.04   0.03   0.01     0.00  -0.00  -0.00
    21   1     0.36  -0.18   0.45     0.29  -0.16   0.43     0.00  -0.00   0.01
    22   1     0.34  -0.03   0.21     0.16   0.02   0.05     0.10  -0.03   0.09
    23   1     0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.03  -0.04   0.03
    24   1    -0.10   0.00  -0.31    -0.12   0.00  -0.38     0.01   0.00   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1445.4231              1465.5853              1493.4463
 Red. masses --      1.6780                 1.6149                 1.0851
 Frc consts  --      2.0655                 2.0436                 1.4259
 IR Inten    --     23.6383                10.5758                 6.4832
 RamAct Fr= 1--      3.9742                 5.4621                 7.4113
  Dep-P Fr= 1--      0.7151                 0.6505                 0.7020
  Dep-U Fr= 1--      0.8339                 0.7882                 0.8249
 Alpha2 Fr= 1--      0.0024                 0.0098                 0.0062
 Beta2  Fr= 1--      0.5523                 0.7176                 1.0189
 AlphaG Fr= 1--      0.0200                -0.0319                 0.0109
 Gamma2 Fr= 1--      0.4311                -0.0787                -0.2991
 Delta2 Fr= 1--     -1.0641                 0.9073                -0.4954
 Raman1 Fr= 1--      15.897                 21.849                 29.645
 ROA1   Fr= 1--       7.339                 21.473                -44.569
 CID1   Fr= 1--       0.462                  0.983                 -1.503
 Raman2 Fr= 1--       6.628                  8.611                 12.227
 ROA2   Fr= 1--      18.860                 -9.148                 -3.216
 CID2   Fr= 1--       2.846                 -1.062                 -0.263
 Raman3 Fr= 1--      13.256                 17.222                 24.454
 ROA3   Fr= 1--       7.339                 21.473                -44.569
 CID3   Fr= 1--       0.554                  1.247                 -1.823
 RC180  Fr= 1--       0.668                  0.576                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.07   0.00     0.03   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.06  -0.06   0.00    -0.05   0.08  -0.00     0.00   0.00  -0.00
     3   6     0.05  -0.15  -0.02    -0.02   0.01   0.00    -0.00   0.01   0.00
     4   6    -0.08   0.09   0.01     0.03  -0.01   0.00     0.01  -0.00   0.00
     5   8     0.01  -0.01   0.00    -0.01   0.02  -0.00    -0.00  -0.00   0.00
     6   6     0.02  -0.01  -0.01     0.03  -0.19  -0.03     0.00   0.00   0.00
     7   8    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
     8   1    -0.14  -0.22  -0.00    -0.08  -0.05   0.01     0.00   0.00   0.00
     9   8    -0.00   0.02  -0.01     0.01  -0.01  -0.00    -0.00  -0.00   0.00
    10   1     0.26   0.12  -0.01     0.17  -0.21  -0.06    -0.00  -0.00  -0.00
    11   1    -0.03   0.53   0.02     0.04  -0.04  -0.01    -0.01  -0.02   0.00
    12   8    -0.03   0.02   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.01  -0.00  -0.03    -0.01   0.00  -0.00     0.05   0.00  -0.06
    14   1     0.28  -0.30  -0.05    -0.06   0.02   0.01     0.04   0.01  -0.01
    15   8    -0.00   0.00   0.01    -0.02   0.02   0.05     0.00  -0.00  -0.00
    16   1    -0.07   0.07   0.01     0.01   0.79   0.02     0.00  -0.00   0.00
    17   1    -0.01   0.11   0.06    -0.00   0.04   0.03     0.00  -0.00  -0.00
    18   1     0.16  -0.06   0.06    -0.04   0.02  -0.02    -0.00   0.00  -0.00
    19   1     0.26   0.24  -0.22    -0.02  -0.02   0.02    -0.02  -0.02   0.01
    20   8    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    21   1    -0.00   0.02  -0.02     0.03  -0.02   0.04    -0.26   0.40   0.52
    22   1     0.19  -0.07   0.19    -0.00   0.00   0.00    -0.41  -0.43   0.37
    23   1     0.04   0.05  -0.04     0.25   0.29  -0.25    -0.00  -0.00   0.00
    24   1     0.03   0.00   0.09    -0.01   0.00  -0.02     0.01   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2954.8645              2982.3661              2986.5378
 Red. masses --      1.0824                 1.0816                 1.0801
 Frc consts  --      5.5684                 5.6683                 5.6761
 IR Inten    --     64.4086                15.2043                43.1021
 RamAct Fr= 1--    118.2702                88.9286               213.7249
  Dep-P Fr= 1--      0.1773                 0.1171                 0.2886
  Dep-U Fr= 1--      0.3012                 0.2096                 0.4480
 Alpha2 Fr= 1--      1.7048                 1.4930                 2.2673
 Beta2  Fr= 1--      5.9365                 3.1065                15.9564
 AlphaG Fr= 1--     -1.4080                -0.6135                 0.7599
 Gamma2 Fr= 1--     -7.7964                -4.4531                23.5887
 Delta2 Fr= 1--      0.0176                -4.0853                20.4317
 Raman1 Fr= 1--     473.081                355.715                854.900
 ROA1   Fr= 1--    -747.892               -558.228               2918.333
 CID1   Fr= 1--      -1.581                 -1.569                  3.414
 Raman2 Fr= 1--      71.239                 37.278                191.477
 ROA2   Fr= 1--    -187.255                -74.192                402.675
 CID2   Fr= 1--      -2.629                 -1.990                  2.103
 Raman3 Fr= 1--     142.477                 74.557                382.954
 ROA3   Fr= 1--    -747.892               -558.228               2918.333
 CID3   Fr= 1--      -5.249                 -7.487                  7.621
 RC180  Fr= 1--      -0.398                 -0.581                 -0.104
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.01   0.01  -0.07    -0.01   0.01  -0.03
     2   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.01
     4   6     0.00   0.00   0.00     0.00  -0.00   0.03    -0.01   0.00  -0.07
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.08     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.02   0.01  -0.09     0.16  -0.13   0.87     0.07  -0.06   0.37
     9   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   1    -0.01   0.01  -0.08    -0.02   0.02  -0.16    -0.01   0.01  -0.06
    11   1     0.00   0.00   0.01    -0.01   0.00  -0.07    -0.04   0.01  -0.20
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.01
    14   1    -0.01  -0.00  -0.01    -0.04   0.03  -0.39     0.09  -0.07   0.84
    15   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.14  -0.06   0.98     0.01  -0.00   0.07     0.01  -0.00   0.04
    17   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1    -0.00   0.00  -0.00    -0.01  -0.02   0.01     0.04   0.06  -0.02
    22   1     0.00   0.00   0.00    -0.03   0.08   0.05     0.08  -0.23  -0.15
    23   1     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3006.2592              3016.0319              3027.3290
 Red. masses --      1.0728                 1.0835                 1.0842
 Frc consts  --      5.7127                 5.8072                 5.8542
 IR Inten    --    108.0751                26.4269               128.7935
 RamAct Fr= 1--    283.5200                26.4549                79.1401
  Dep-P Fr= 1--      0.1005                 0.2156                 0.1531
  Dep-U Fr= 1--      0.1827                 0.3547                 0.2656
 Alpha2 Fr= 1--      4.9575                 0.3446                 1.2137
 Beta2  Fr= 1--      8.6330                 1.5640                 3.5035
 AlphaG Fr= 1--      0.8161                 0.3451                -0.1113
 Gamma2 Fr= 1--     -7.6090                -1.7647                 0.7504
 Delta2 Fr= 1--    -12.0003                -3.1476                -0.8709
 Raman1 Fr= 1--    1134.080                105.820                316.560
 ROA1   Fr= 1--   -1114.472               -270.130                 44.171
 CID1   Fr= 1--      -0.983                 -2.553                  0.140
 Raman2 Fr= 1--     103.596                 18.768                 42.042
 ROA2   Fr= 1--     -86.614                -17.171                 24.978
 CID2   Fr= 1--      -0.836                 -0.915                  0.594
 Raman3 Fr= 1--     207.192                 37.536                 84.084
 ROA3   Fr= 1--   -1114.472               -270.130                 44.171
 CID3   Fr= 1--      -5.379                 -7.197                  0.525
 RC180  Fr= 1--      -0.635                 -0.291                 -0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.02
     2   6    -0.00   0.00  -0.00    -0.01   0.01  -0.07    -0.00   0.00  -0.03
     3   6     0.00   0.00   0.01     0.01  -0.00   0.03    -0.02   0.00  -0.07
     4   6    -0.00  -0.00  -0.02     0.00  -0.00   0.01    -0.00   0.00  -0.01
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
     7   8     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   1     0.01  -0.00   0.02     0.01  -0.02   0.09     0.04  -0.03   0.19
     9   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1     0.00  -0.00   0.01     0.10  -0.11   0.89     0.04  -0.05   0.36
    11   1    -0.01   0.00  -0.07    -0.08   0.01  -0.37     0.18  -0.03   0.87
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.03  -0.05  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.04  -0.02   0.29    -0.01   0.00  -0.08     0.01  -0.01   0.15
    15   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.01     0.01  -0.00   0.09     0.01  -0.00   0.04
    17   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.10  -0.16   0.04     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   1    -0.26   0.75   0.48     0.00  -0.01  -0.01    -0.00   0.01   0.00
    23   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1     0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3113.8555              3778.1462              3786.0151
 Red. masses --      1.0930                 1.0656                 1.0661
 Frc consts  --      6.2440                 8.9618                 9.0031
 IR Inten    --     23.3427                66.9217                70.7123
 RamAct Fr= 1--    108.5590                63.8327                83.0160
  Dep-P Fr= 1--      0.3520                 0.0925                 0.1975
  Dep-U Fr= 1--      0.5207                 0.1694                 0.3299
 Alpha2 Fr= 1--      0.9470                 1.1382                 1.1348
 Beta2  Fr= 1--      9.4208                 1.8017                 4.5641
 AlphaG Fr= 1--     -0.1072                -0.2428                -0.4052
 Gamma2 Fr= 1--      3.1947                -0.7523                -7.9017
 Delta2 Fr= 1--      0.7255                 0.6731                -1.0139
 Raman1 Fr= 1--     434.236                255.331                332.064
 ROA1   Fr= 1--     329.910                -50.684               -791.007
 CID1   Fr= 1--       0.760                 -0.199                 -2.382
 Raman2 Fr= 1--     113.050                 21.621                 54.769
 ROA2   Fr= 1--      70.870                -23.440               -181.530
 CID2   Fr= 1--       0.627                 -1.084                 -3.314
 Raman3 Fr= 1--     226.100                 43.242                109.538
 ROA3   Fr= 1--     329.910                -50.684               -791.007
 CID3   Fr= 1--       1.459                 -1.172                 -7.221
 RC180  Fr= 1--       0.041                 -0.661                 -0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.02
    13   6    -0.04  -0.08   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    15   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.14  -0.01   0.01
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.01   0.02   0.01    -0.37   0.84   0.35
    20   8     0.00   0.00   0.00    -0.04  -0.04   0.02     0.00   0.00  -0.00
    21   1     0.56   0.76  -0.24     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   1    -0.06   0.15   0.10    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.00     0.63   0.71  -0.30    -0.01  -0.01   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3788.2290              3795.5769              3800.6634
 Red. masses --      1.0660                 1.0661                 1.0661
 Frc consts  --      9.0132                 9.0489                 9.0733
 IR Inten    --     95.5045                83.3338               100.0057
 RamAct Fr= 1--    128.0667               107.9051               176.5353
  Dep-P Fr= 1--      0.1487                 0.2053                 0.1737
  Dep-U Fr= 1--      0.2589                 0.3406                 0.2960
 Alpha2 Fr= 1--      1.9864                 1.4449                 2.5682
 Beta2  Fr= 1--      5.5255                 6.1263                 8.7096
 AlphaG Fr= 1--      0.4215                -0.3689                 0.9847
 Gamma2 Fr= 1--      8.5610                -9.3653                 9.7547
 Delta2 Fr= 1--      1.2937                -3.4717                 2.9937
 Raman1 Fr= 1--     512.267                431.620                706.141
 ROA1   Fr= 1--     863.252              -1010.158               1032.247
 CID1   Fr= 1--       1.685                 -2.340                  1.462
 Raman2 Fr= 1--      66.306                 73.516                104.515
 ROA2   Fr= 1--     195.114               -196.993                210.163
 CID2   Fr= 1--       2.943                 -2.680                  2.011
 Raman3 Fr= 1--     132.613                147.031                209.030
 ROA3   Fr= 1--     863.252              -1010.158               1032.247
 CID3   Fr= 1--       6.510                 -6.870                  4.938
 RC180  Fr= 1--      -0.482                 -0.319                 -0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.06   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   8     0.00   0.00  -0.00    -0.03  -0.05   0.02    -0.00  -0.01   0.00
    10   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   8    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.02  -0.05  -0.03
    16   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.98  -0.09   0.07     0.05  -0.01   0.00     0.00  -0.00   0.00
    18   1    -0.03  -0.04   0.02     0.51   0.79  -0.30     0.06   0.09  -0.04
    19   1     0.05  -0.12  -0.05     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    21   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.03  -0.09  -0.06    -0.27   0.80   0.52
    24   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1539.979562209.021433379.13667
           X            0.99996  -0.00748  -0.00581
           Y            0.00752   0.99995   0.00600
           Z            0.00577  -0.00604   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05624     0.03921     0.02563
 Rotational constants (GHZ):           1.17193     0.81699     0.53408
 Zero-point vibrational energy     513641.7 (Joules/Mol)
                                  122.76331 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     90.43   114.19   158.80   195.57   239.40
          (Kelvin)            306.01   345.19   371.84   381.05   410.05
                              426.38   442.84   464.97   491.89   512.73
                              592.00   611.12   652.69   743.00   815.47
                              852.00   905.29  1032.11  1307.72  1326.18
                             1453.92  1466.71  1492.11  1527.07  1538.18
                             1555.19  1576.48  1592.28  1602.71  1615.01
                             1653.26  1737.10  1779.55  1787.98  1797.98
                             1803.96  1911.05  1916.63  1935.88  1941.69
                             1967.23  1991.83  2008.83  2044.24  2054.47
                             2073.83  2079.64  2108.65  2148.74  4251.39
                             4290.96  4296.96  4325.34  4339.40  4355.65
                             4480.14  5435.91  5447.23  5450.42  5460.99
                             5468.31
 
 Zero-point correction=                           0.195636 (Hartree/Particle)
 Thermal correction to Energy=                    0.208650
 Thermal correction to Enthalpy=                  0.209594
 Thermal correction to Gibbs Free Energy=         0.157074
 Sum of electronic and zero-point Energies=           -687.329048
 Sum of electronic and thermal Energies=              -687.316034
 Sum of electronic and thermal Enthalpies=            -687.315090
 Sum of electronic and thermal Free Energies=         -687.367610
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  130.930             48.468            110.538
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.820
 Vibrational            129.152             42.506             38.247
 Vibration     1          0.597              1.972              4.366
 Vibration     2          0.600              1.963              3.906
 Vibration     3          0.606              1.941              3.262
 Vibration     4          0.614              1.917              2.860
 Vibration     5          0.624              1.884              2.476
 Vibration     6          0.644              1.822              2.020
 Vibration     7          0.657              1.779              1.803
 Vibration     8          0.667              1.748              1.672
 Vibration     9          0.671              1.737              1.630
 Vibration    10          0.683              1.702              1.503
 Vibration    11          0.690              1.681              1.437
 Vibration    12          0.698              1.659              1.374
 Vibration    13          0.708              1.629              1.294
 Vibration    14          0.721              1.592              1.203
 Vibration    15          0.732              1.562              1.138
 Vibration    16          0.775              1.445              0.921
 Vibration    17          0.787              1.416              0.876
 Vibration    18          0.812              1.353              0.785
 Vibration    19          0.871              1.214              0.618
 Vibration    20          0.923              1.103              0.510
 Vibration    21          0.950              1.048              0.463
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.563782D-72        -72.248889       -166.359215
 Total V=0       0.546069D+18         17.737248         40.841522
 Vib (Bot)       0.489117D-86        -86.310587       -198.737471
 Vib (Bot)    1  0.328442D+01          0.516459          1.189191
 Vib (Bot)    2  0.259508D+01          0.414151          0.953619
 Vib (Bot)    3  0.185549D+01          0.268458          0.618147
 Vib (Bot)    4  0.149751D+01          0.175371          0.403806
 Vib (Bot)    5  0.121257D+01          0.083705          0.192738
 Vib (Bot)    6  0.932830D+00         -0.030198         -0.069532
 Vib (Bot)    7  0.817317D+00         -0.087610         -0.201729
 Vib (Bot)    8  0.752114D+00         -0.123717         -0.284868
 Vib (Bot)    9  0.731625D+00         -0.135711         -0.312487
 Vib (Bot)   10  0.672818D+00         -0.172102         -0.396280
 Vib (Bot)   11  0.643049D+00         -0.191756         -0.441534
 Vib (Bot)   12  0.615147D+00         -0.211021         -0.485895
 Vib (Bot)   13  0.580580D+00         -0.236138         -0.543727
 Vib (Bot)   14  0.542482D+00         -0.265614         -0.611600
 Vib (Bot)   15  0.515578D+00         -0.287706         -0.662467
 Vib (Bot)   16  0.429517D+00         -0.367019         -0.845093
 Vib (Bot)   17  0.411888D+00         -0.385221         -0.887005
 Vib (Bot)   18  0.376900D+00         -0.423774         -0.975776
 Vib (Bot)   19  0.313596D+00         -0.503629         -1.159650
 Vib (Bot)   20  0.272405D+00         -0.564785         -1.300466
 Vib (Bot)   21  0.254187D+00         -0.594846         -1.369684
 Vib (V=0)       0.473751D+04          3.675550          8.463266
 Vib (V=0)    1  0.382226D+01          0.582321          1.340843
 Vib (V=0)    2  0.314281D+01          0.497318          1.145118
 Vib (V=0)    3  0.242167D+01          0.384116          0.884459
 Vib (V=0)    4  0.207878D+01          0.317808          0.731781
 Vib (V=0)    5  0.181161D+01          0.258064          0.594215
 Vib (V=0)    6  0.155838D+01          0.192674          0.443648
 Vib (V=0)    7  0.145813D+01          0.163795          0.377152
 Vib (V=0)    8  0.140315D+01          0.147103          0.338718
 Vib (V=0)    9  0.138616D+01          0.141813          0.326536
 Vib (V=0)   10  0.133826D+01          0.126541          0.291372
 Vib (V=0)   11  0.131456D+01          0.118781          0.273504
 Vib (V=0)   12  0.129272D+01          0.111505          0.256749
 Vib (V=0)   13  0.126621D+01          0.102505          0.236026
 Vib (V=0)   14  0.123776D+01          0.092636          0.213302
 Vib (V=0)   15  0.121821D+01          0.085721          0.197380
 Vib (V=0)   16  0.115915D+01          0.064141          0.147691
 Vib (V=0)   17  0.114781D+01          0.059868          0.137851
 Vib (V=0)   18  0.112614D+01          0.051593          0.118797
 Vib (V=0)   19  0.109021D+01          0.037508          0.086366
 Vib (V=0)   20  0.106939D+01          0.029136          0.067088
 Vib (V=0)   21  0.106090D+01          0.025675          0.059120
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.121368D+07          6.084106         14.009172
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  33333                     3333222                                    11111111111111111111111111111                                 
  87777                     1000999                                    44444433333332222211110000000 99     765554443333222222111    
  09887                     1210885                                    96442298654325543042109866311 20     12961521542098654163176  
  16868                     4766725                                    36518164706284037792476191791 29     79276451623865580366093  
 
  XXXXX                     XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX     XXXXXXXXXXXXXXXXXXXXXXX  
  XXXXX                     XXXXX X                                      X  X   XXX  XXX XXXXXXXXXXX  X      XX X   XXXXXXXX XX      
  XXXXX                      X XX X                                         X   X X  X X  XXXXXXXXXX  X      XX X   XXXXXXXX  X      
  XXXXX                      X X  X                                             X X  X X  XXXXXX XXX  X             XXXX XXX  X      
  XXXXX                      X X  X                                               X    X   XXXXX  XX                XXXX  XX  X      
  XXX                        X X                                                  X         XXXX  XX                XX X  XX  X      
  X X                        X X                                                            XXXX   X                XX X  XX  X      
                             X X                                                            XXXX   X                XX X      X      
                             X                                                              XXXX   X                XX X      X      
                                                                                             XXX   X                X  X      X      
                                                                                             XXX   X                X  X      X      
                                                                                             XXX   X                X                
                                                                                             XXX   X                X                
                                                                                              XX                                     
                                                                                              XX                                     
                                                                                              XX                                     
                                                                                              XX                                     
                                                                                              XX                                     
                                                                                              XX                                     
                                                                                               X                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000589475   -0.000828150   -0.001057876
      2        6           0.000860554    0.000165915    0.000373547
      3        6          -0.001110946   -0.002310285    0.000223393
      4        6          -0.000584688   -0.000849789   -0.000859216
      5        8           0.002166830    0.001087686    0.001255976
      6        6          -0.003157765   -0.000471373   -0.002726865
      7        8          -0.000041543    0.000822362    0.001079451
      8        1           0.000023742    0.000077673    0.000495902
      9        8           0.000358207    0.000235042   -0.000332784
     10        1          -0.000432248    0.000152255    0.000111230
     11        1          -0.000208878    0.000461185    0.000044545
     12        8           0.001219781    0.001536273   -0.000085808
     13        6          -0.000785213    0.000161720   -0.003654628
     14        1           0.000317294   -0.000377419    0.000688607
     15        8           0.001493941    0.001089197    0.001416047
     16        1           0.000390122   -0.000549787    0.000941304
     17        1          -0.000707114    0.000637111   -0.000211134
     18        1          -0.000799619   -0.000471612    0.000482885
     19        1           0.000010393    0.000926017   -0.000030161
     20        8           0.001131880   -0.000186785    0.002660975
     21        1           0.000283462   -0.000354255   -0.000346556
     22        1          -0.000084629    0.000671605    0.000555342
     23        1          -0.000515215   -0.001087021   -0.001576819
     24        1          -0.000417823   -0.000537568    0.000552642
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003654628 RMS     0.001066348
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.121367D+03  0.155959D+01 -0.158736D+01
      2   0.155959D+01  0.114580D+03 -0.430204D+00
      3  -0.158736D+01 -0.430204D+00  0.991577D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.187967D+01 -0.979402D+01 -0.182272D+01
      2   0.119524D+02 -0.329143D+01  0.149013D+02
      3   0.189708D+01 -0.889477D+01  0.156150D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.207930D+02 -0.137825D+02  0.995007D+01
      2  -0.230967D+02  0.126451D+02  0.977177D+01
      3   0.230363D+01  0.113735D+01 -0.197218D+02
      4  -0.111676D+02 -0.652121D+01 -0.111228D+02
      5  -0.902371D+01 -0.101683D+02  0.313437D+02
      6  -0.840448D+01 -0.880012D+01 -0.194946D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.423371D+01  0.465254D+00  0.133902D+00 -0.394887D+00  0.347339D+01
      2   0.465254D+00  0.420421D+01  0.209407D+00  0.347339D+01 -0.211598D+01
      3   0.133902D+00  0.209407D+00  0.138513D+01  0.645997D+00 -0.179513D+01
                 6             7             8             9            10 
      1   0.645997D+00 -0.382907D+00  0.553919D+00  0.205458D+01  0.608567D+01
      2  -0.179513D+01  0.553919D+00 -0.331427D+01 -0.199521D+01 -0.931326D+00
      3  -0.400513D+00  0.205458D+01 -0.199521D+01  0.106888D+02  0.354748D-01
                11            12            13            14            15 
      1  -0.931326D+00  0.354748D-01 -0.117918D+01 -0.332808D+01 -0.224365D+00
      2  -0.309129D+01 -0.263218D-01 -0.332808D+01 -0.445828D+00  0.109466D+01
      3  -0.263218D-01 -0.352413D+01 -0.224365D+00  0.109466D+01  0.216842D+01
                16            17            18            19            20 
      1   0.139058D+01 -0.485927D+00 -0.196507D+01  0.351152D+01 -0.563273D+00
      2  -0.485927D+00  0.207542D+01  0.143637D+01 -0.563273D+00 -0.362763D+01
      3  -0.196507D+01  0.143637D+01 -0.101248D+02  0.573884D-01  0.576654D+00
                21            22            23            24            25 
      1   0.573884D-01 -0.119183D+01 -0.470560D+01  0.281738D+00  0.916305D+00
      2   0.576654D+00 -0.470560D+01  0.822876D+00  0.198216D+01  0.809749D+00
      3  -0.119437D+01  0.281738D+00  0.198216D+01  0.203161D+01 -0.212093D+01
                26            27            28            29            30 
      1   0.809749D+00 -0.212093D+01 -0.172982D+01  0.256089D+01 -0.662682D+00
      2   0.293645D+01  0.123193D+01  0.256089D+01  0.348603D+01 -0.184862D+00
      3   0.123193D+01 -0.982649D+01 -0.662682D+00 -0.184862D+00  0.462424D+00
                31            32            33            34            35 
      1   0.304512D+01  0.459968D+01  0.100914D+01 -0.262121D+01  0.531781D+00
      2   0.459968D+01 -0.105274D+01 -0.204957D+01  0.531781D+00 -0.290539D+01
      3   0.100914D+01 -0.204957D+01 -0.227482D+01  0.367153D+00 -0.960966D+00
                36            37            38            39            40 
      1   0.367153D+00  0.617808D+01 -0.216638D+01 -0.441695D+00 -0.398991D+01
      2  -0.960966D+00 -0.216638D+01 -0.106302D-01 -0.350746D+00 -0.125924D+01
      3   0.966280D+01 -0.441695D+00 -0.350746D+00 -0.630403D+00 -0.382765D+00
                41            42            43            44            45 
      1  -0.125924D+01 -0.382765D+00  0.277610D+01  0.647665D+00  0.198553D+00
      2  -0.473600D+01  0.796230D+00  0.647665D+00  0.179358D+01 -0.622474D+00
      3   0.796230D+00  0.108086D+01  0.198553D+00 -0.622474D+00 -0.150820D+01
                46            47            48            49            50 
      1  -0.569674D+01 -0.651608D+00  0.492048D+00  0.162103D+01  0.322258D+01
      2  -0.651608D+00  0.981497D+00  0.711374D+00  0.322258D+01 -0.753008D+00
      3   0.492048D+00  0.711374D+00  0.198000D+01 -0.238821D+00 -0.123653D+01
                51            52            53            54            55 
      1  -0.238821D+00 -0.944584D+00 -0.932361D-02  0.243628D+01  0.620755D+01
      2  -0.123653D+01 -0.932361D-02 -0.229912D+01 -0.939953D+00 -0.393502D-01
      3  -0.305783D+01  0.243628D+01 -0.939953D+00  0.102169D+02  0.616757D+00
                56            57            58            59            60 
      1  -0.393502D-01  0.616757D+00  0.969753D+00 -0.178505D+01 -0.447179D+00
      2   0.692575D+00  0.288273D+00 -0.178505D+01  0.814103D+01  0.210624D+01
      3   0.288273D+00  0.843445D+00 -0.447179D+00  0.210624D+01 -0.201740D+00
                61            62            63            64            65 
      1   0.159411D+01 -0.979962D+00 -0.985703D+00 -0.159444D+00  0.466411D-01
      2  -0.979962D+00  0.344377D+01  0.236224D+01  0.466411D-01 -0.111613D+01
      3  -0.985703D+00  0.236224D+01  0.472057D+00 -0.136837D+01  0.185873D+00
                66            67            68            69            70 
      1  -0.136837D+01  0.325163D+00 -0.880021D+00  0.139766D+00 -0.246515D+01
      2   0.185873D+00 -0.880021D+00  0.913274D+00 -0.119423D+01  0.364654D+00
      3  -0.114228D+01  0.139766D+00 -0.119423D+01  0.962775D+00 -0.130122D+01
                71            72            73            74            75 
      1   0.364654D+00 -0.130122D+01 -0.824960D+01  0.272668D+01 -0.155346D+00
      2  -0.217538D+01  0.131215D+01  0.272668D+01  0.127225D+01 -0.748477D+00
      3   0.131215D+01 -0.912148D+01 -0.155346D+00 -0.748477D+00  0.144700D+01
                76            77            78            79            80 
      1   0.593338D+01  0.564095D+00 -0.845845D+00 -0.310435D+01 -0.804542D+00
      2   0.564095D+00  0.433531D+01 -0.123404D+01 -0.804542D+00 -0.182151D+01
      3  -0.845845D+00 -0.123404D+01  0.804391D+00 -0.112365D+01  0.374497D+00
                81            82            83            84            85 
      1  -0.112365D+01 -0.953381D-01  0.391205D-01  0.135882D+01 -0.180628D+00
      2   0.374497D+00  0.391205D-01  0.744009D+00 -0.404490D-01  0.735621D+00
      3   0.123140D-01  0.135882D+01 -0.404490D-01  0.112190D+01 -0.517951D-01
                86            87            88            89            90 
      1   0.735621D+00 -0.517951D-01  0.233074D+01  0.120054D+00  0.270831D+00
      2  -0.600975D+00  0.105885D+01  0.120054D+00  0.187332D+01 -0.893160D+00
      3   0.105885D+01 -0.121441D+01  0.270831D+00 -0.893160D+00  0.964124D+01
                91            92            93            94            95 
      1   0.540585D+00 -0.249454D+00  0.136122D+01 -0.346260D-01  0.115845D+01
      2  -0.249454D+00  0.122984D+01  0.393695D-02  0.115845D+01 -0.412504D+00
      3   0.136122D+01  0.393695D-02  0.102799D+01  0.349897D-01  0.991502D+00
                96            97            98            99           100 
      1   0.349897D-01  0.261335D+01 -0.249152D+00  0.148581D+01  0.461873D+01
      2   0.991502D+00 -0.249152D+00  0.208838D+01 -0.891557D-01  0.237697D+01
      3  -0.181166D+00  0.148581D+01 -0.891557D-01  0.878189D+01 -0.142687D+01
               101           102           103           104           105 
      1   0.237697D+01 -0.142687D+01  0.958581D+00  0.427364D+01 -0.325094D-01
      2   0.505116D+01  0.486438D-01  0.427364D+01 -0.888294D+00 -0.218835D+01
      3   0.486438D-01  0.584074D+00 -0.325094D-01 -0.218835D+01 -0.151094D+01
               106           107           108           109           110 
      1  -0.212880D+01 -0.740197D+00  0.175141D+01  0.255814D+01 -0.270408D+01
      2  -0.740197D+00 -0.441225D+01  0.925248D+00 -0.270408D+01 -0.321617D+01
      3   0.175141D+01  0.925248D+00 -0.705562D+00  0.197148D+01 -0.252476D+00
               111           112           113           114           115 
      1   0.197148D+01 -0.223617D+01 -0.542266D+01 -0.619672D+00  0.327803D+01
      2  -0.252476D+00 -0.542266D+01  0.121248D+01  0.468290D+01 -0.934902D+00
      3  -0.744326D+00 -0.619672D+00  0.468290D+01  0.248044D+01 -0.425969D+01
               116           117           118           119           120 
      1  -0.934902D+00 -0.425969D+01  0.480632D+00 -0.184480D+00 -0.157465D+01
      2   0.480280D+01  0.326583D+01 -0.184480D+00 -0.544960D+00  0.516119D-01
      3   0.326583D+01 -0.738976D+00 -0.157465D+01  0.516119D-01 -0.257880D+00
               121           122           123           124           125 
      1  -0.148585D+00 -0.502997D+00 -0.304977D+00 -0.231912D+01 -0.370280D+00
      2  -0.502997D+00  0.740871D+00 -0.120780D+01 -0.370280D+00 -0.170231D+01
      3  -0.304977D+00 -0.120780D+01  0.752952D+00  0.679057D+00  0.578544D+00
               126           127           128           129           130 
      1   0.679057D+00 -0.313274D+01 -0.227438D+01  0.993095D+00 -0.162214D+01
      2   0.578544D+00 -0.227438D+01 -0.376290D+01 -0.377604D+00 -0.292036D+01
      3  -0.104897D+02  0.993095D+00 -0.377604D+00 -0.366616D+00 -0.839445D-01
               131           132           133           134           135 
      1  -0.292036D+01 -0.839445D-01  0.226132D+01  0.548612D+00 -0.147137D+01
      2   0.210654D+01  0.279447D+01  0.548612D+00  0.607896D+01 -0.183047D+00
      3   0.279447D+01  0.192215D+01 -0.147137D+01 -0.183047D+00  0.936822D+00
               136           137           138           139           140 
      1  -0.526616D+00 -0.369079D-01 -0.166267D+01 -0.197859D-01 -0.751641D+00
      2  -0.369079D-01 -0.454960D+00 -0.369071D+00 -0.751641D+00  0.129005D+00
      3  -0.166267D+01 -0.369071D+00 -0.124620D+01  0.109776D+00 -0.107071D+01
               141           142           143           144           145 
      1   0.109776D+00 -0.294435D+01 -0.591203D+00 -0.188156D+01 -0.862509D+01
      2  -0.107071D+01 -0.591203D+00 -0.178972D+01 -0.420267D+00  0.301230D+01
      3   0.599791D+00 -0.188156D+01 -0.420267D+00 -0.968228D+01  0.628771D+00
               146           147           148           149           150 
      1   0.301230D+01  0.628771D+00  0.168583D+01 -0.127553D+01 -0.175784D+00
      2  -0.365050D+01 -0.632329D+00 -0.127553D+01  0.126363D+01  0.284528D-01
      3  -0.632329D+00 -0.158220D+01 -0.175784D+00  0.284528D-01  0.684104D+00
               151           152           153           154           155 
      1  -0.195750D+00 -0.899607D-02 -0.545659D+00 -0.537681D+01 -0.253546D+01
      2  -0.899607D-02 -0.113191D+00  0.397954D+00 -0.253546D+01 -0.260832D+01
      3  -0.545659D+00  0.397954D+00  0.500277D+00  0.723995D+00  0.550163D+00
               156           157           158           159           160 
      1   0.723995D+00 -0.511081D+01 -0.278522D+01  0.783427D+00  0.188249D+01
      2   0.550163D+00 -0.278522D+01 -0.385199D+01  0.830834D+00  0.103396D+01
      3  -0.141604D+01  0.783427D+00  0.830834D+00 -0.113668D+01 -0.102809D+01
               161           162           163           164           165 
      1   0.103396D+01 -0.102809D+01 -0.886874D+00  0.635392D+00  0.401788D+00
      2   0.131278D+01 -0.582909D+00  0.635392D+00 -0.220680D+01 -0.247223D+00
      3  -0.582909D+00  0.583020D+00  0.401788D+00 -0.247223D+00 -0.283559D+00
               166           167           168           169           170 
      1   0.197206D+01 -0.105218D+00 -0.275833D+00  0.768578D+00 -0.114225D+00
      2  -0.105218D+00  0.895804D+01  0.863834D+00 -0.114225D+00  0.238304D+01
      3  -0.275833D+00  0.863834D+00  0.178154D+01 -0.144536D+00  0.971328D+00
               171           172           173           174           175 
      1  -0.144536D+00  0.425741D+01  0.104428D+01  0.176270D+01  0.228572D+01
      2   0.971328D+00  0.104428D+01  0.247614D+01 -0.127145D+01  0.237024D+01
      3   0.318299D+00  0.176270D+01 -0.127145D+01  0.244444D+01 -0.668661D+00
               176           177           178           179           180 
      1   0.237024D+01 -0.668661D+00  0.139532D+01 -0.812988D+00  0.414011D+01
      2   0.195233D+01  0.519173D-01 -0.812988D+00 -0.814044D+00 -0.110114D+01
      3   0.519173D-01  0.168361D+01  0.414011D+01 -0.110114D+01  0.409748D+01
               181           182           183           184           185 
      1   0.485153D+01  0.280569D+01 -0.135069D+01  0.460740D+01  0.292103D+01
      2   0.280569D+01  0.240191D+01 -0.488452D+00  0.292103D+01  0.426359D+01
      3  -0.135069D+01 -0.488452D+00  0.130599D+01 -0.753907D+00 -0.167704D+01
               186           187           188           189           190 
      1  -0.753907D+00 -0.169839D+01 -0.447128D+00  0.157682D+01  0.213874D+01
      2  -0.167704D+01 -0.447128D+00 -0.137825D+01  0.890321D+00 -0.159411D+01
      3   0.142677D+01  0.157682D+01  0.890321D+00 -0.910959D+00 -0.178553D+01
               191           192           193           194           195 
      1  -0.159411D+01 -0.178553D+01 -0.314352D+01  0.359024D+01  0.159993D+01
      2   0.175893D+01  0.788668D+00  0.359024D+01 -0.610342D+01 -0.337100D+01
      3   0.788668D+00  0.120148D+01  0.159993D+01 -0.337100D+01 -0.372857D+01
               196           197           198           199           200 
      1  -0.261215D+01  0.154490D+01  0.219538D+01  0.937540D-02 -0.678479D+00
      2   0.154490D+01 -0.307847D+01 -0.296651D+01 -0.678479D+00  0.202235D+01
      3   0.219538D+01 -0.296651D+01 -0.404755D+01 -0.295139D+00  0.522788D+00
               201           202           203           204           205 
      1  -0.295139D+00 -0.153458D+01 -0.147271D+00  0.166783D+00 -0.784504D+00
      2   0.522788D+00 -0.147271D+00 -0.104141D+02 -0.201355D+01  0.706599D-02
      3   0.368567D+00  0.166783D+00 -0.201355D+01 -0.212278D+01  0.986569D-01
               206           207           208           209           210 
      1   0.706599D-02  0.986569D-01 -0.272518D+01 -0.110392D+01  0.186188D+00
      2  -0.480646D+01 -0.195598D+01 -0.110392D+01 -0.203060D+01  0.105206D+01
      3  -0.195598D+01 -0.109750D+01  0.186188D+00  0.105206D+01 -0.178444D+01
               211           212           213           214           215 
      1  -0.261739D+01 -0.104008D+01  0.334513D+00  0.994353D+00  0.386472D+00
      2  -0.104008D+01 -0.346414D+01  0.175592D+01  0.386472D+00  0.182186D+01
      3   0.334513D+00  0.175592D+01 -0.254995D+01 -0.427171D+00 -0.103564D+01
               216 
      1  -0.427171D+00
      2  -0.103564D+01
      3   0.234158D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.991426D-01  0.221964D+00 -0.294317D+01 -0.984654D+00  0.635805D+00
      2  -0.250543D+00 -0.356376D+00 -0.347281D+00  0.671534D+00  0.202620D+01
      3  -0.226158D+01 -0.355727D+00 -0.596344D-01  0.474667D+01  0.162331D+01
                 6             7             8             9            10 
      1   0.195981D+01 -0.174538D+01  0.474358D+01 -0.862730D+01 -0.522327D+00
      2   0.156790D+01 -0.403619D+01  0.854386D+00 -0.632296D+01 -0.169800D+01
      3  -0.587578D+00  0.200307D+00 -0.214509D+01  0.413371D+00 -0.243893D+01
                11            12            13            14            15 
      1  -0.162837D+01 -0.899043D+00  0.492460D+00  0.276977D+00 -0.200004D+01
      2  -0.105517D+01  0.283106D+01 -0.306999D+00 -0.170022D+01 -0.346625D+01
      3  -0.553341D+01  0.167752D-01  0.948517D-01  0.302447D+00  0.184088D+01
                16            17            18            19            20 
      1  -0.117331D+01  0.384559D+01 -0.166178D+01  0.300111D+00 -0.327748D+00
      2  -0.678392D+00 -0.201319D+01  0.132062D+02 -0.271532D+00  0.109544D+01
      3  -0.603450D+00  0.266816D+01  0.257324D+01  0.279850D+01 -0.803494D+00
                21            22            23            24            25 
      1   0.330564D+01 -0.108672D+00 -0.201449D+01 -0.197145D+01  0.307748D+01
      2   0.722057D+00 -0.157695D+01  0.908329D+00 -0.796265D+00 -0.438126D+01
      3  -0.548518D+00  0.463038D+01 -0.530766D+01 -0.272200D+01  0.205590D+00
                26            27            28            29            30 
      1   0.158656D+01  0.749191D+01 -0.232819D+01 -0.898027D+00  0.153311D+01
      2   0.491950D+00 -0.392022D+01 -0.716445D+01  0.374905D+01 -0.826191D+00
      3  -0.113352D+01 -0.314776D+01 -0.794841D+01 -0.969164D+01 -0.614311D+00
                31            32            33            34            35 
      1  -0.928084D+00  0.288935D+00  0.256123D+01  0.262299D+00  0.435445D+01
      2   0.259734D+01 -0.122436D+01 -0.457244D+01 -0.501023D+01  0.340362D-01
      3  -0.714579D+01  0.135394D+01  0.374336D+01  0.410901D+00  0.339994D+01
                36            37            38            39            40 
      1  -0.516775D+00  0.150955D+01  0.198996D-01 -0.236268D+01  0.149634D+01
      2   0.138117D+02  0.404433D+01 -0.783965D+00  0.112217D+02 -0.225691D+01
      3   0.233173D+01 -0.815707D+01 -0.529431D+01  0.212059D+00  0.169295D+02
                41            42            43            44            45 
      1   0.275691D+01 -0.692844D+01  0.199897D+01  0.286693D+01  0.828213D+00
      2  -0.133411D+01  0.196668D+01 -0.587707D+01 -0.139469D+01 -0.693669D-01
      3   0.577815D+01 -0.347914D+00 -0.311727D+01 -0.156491D+01 -0.267415D+00
                46            47            48            49            50 
      1   0.901892D+00 -0.693226D+00  0.287151D+01 -0.992931D+00 -0.294212D+01
      2  -0.340409D+01 -0.147061D+01 -0.743805D+01 -0.188283D+00  0.293370D+01
      3   0.666208D+01  0.529616D+01 -0.250840D+00  0.202858D+01 -0.105140D+01
                51            52            53            54            55 
      1  -0.432128D+00  0.810937D+00  0.105714D+01  0.100710D+02 -0.126671D+01
      2   0.182001D+01 -0.658249D+01 -0.703622D+00 -0.110050D+02 -0.641750D+01
      3  -0.232005D+01  0.798156D+00 -0.161486D+01 -0.398759D+01  0.189060D+02
                56            57            58            59            60 
      1   0.313159D+00 -0.573042D+00  0.186817D+01 -0.245079D+01 -0.730420D+01
      2   0.256667D+01  0.225805D+01  0.580281D+00 -0.281105D+01 -0.166752D+01
      3  -0.329431D+01  0.662605D-02  0.632537D+01  0.724522D+01  0.105573D+01
                61            62            63            64            65 
      1   0.822195D+00  0.945683D+00 -0.339492D+01  0.138758D+01  0.399676D+00
      2  -0.410219D+01 -0.185855D+01 -0.167929D+01  0.101677D+01 -0.436133D+00
      3   0.347469D+01  0.311819D+01  0.108698D+01 -0.217651D+00 -0.189567D+01
                66            67            68            69            70 
      1   0.940501D+00  0.575103D-01  0.148725D+01 -0.153867D+01  0.107331D+01
      2   0.205588D+01  0.192336D-01  0.536436D+00 -0.347956D+00 -0.344053D+01
      3  -0.123613D+01  0.893138D+00 -0.240588D+00 -0.868537D+00 -0.295310D+01
                71            72            73            74            75 
      1   0.351871D+01  0.104092D+02  0.652984D+00 -0.969934D-01  0.748924D+00
      2  -0.621629D+00  0.740980D+01  0.452448D+01  0.267566D+01  0.522398D+01
      3  -0.185970D+01 -0.168565D+00  0.108341D+02 -0.281699D+01 -0.268442D+01
                76            77            78            79            80 
      1  -0.144889D+01  0.109244D+01 -0.237381D+01  0.947756D+00  0.334156D+01
      2   0.240987D+01  0.337446D+01 -0.375479D+01 -0.216462D+01 -0.176323D+01
      3   0.838304D+01  0.179374D+02 -0.319127D+01 -0.245249D+01 -0.629617D+01
                81            82            83            84            85 
      1  -0.421334D-01  0.285010D+00  0.937527D+00  0.288078D+00  0.493457D+00
      2   0.239770D+01 -0.311927D+01  0.142806D+00 -0.135009D+01  0.659649D+00
      3   0.139888D+01  0.634049D-01 -0.105548D+00 -0.268232D+00  0.199264D+01
                86            87            88            89            90 
      1  -0.344475D+00 -0.157792D+01  0.212633D+00  0.404765D+01  0.120076D+01
      2  -0.181157D+01  0.163593D+01 -0.533105D+01  0.110106D+01 -0.137823D+02
      3  -0.757938D+00  0.158803D+01 -0.490059D+00  0.248040D+01 -0.748594D+00
                91            92            93            94            95 
      1  -0.204783D+01  0.895787D+00 -0.127706D+01  0.455410D+00 -0.152276D+01
      2   0.198272D+00  0.554687D+00  0.846569D+00  0.988068D+00  0.118576D+00
      3   0.125535D+01 -0.226794D+01  0.147099D+01  0.226983D+00  0.101520D+01
                96            97            98            99           100 
      1  -0.209139D+00 -0.213760D+01  0.434284D+01 -0.896696D+01  0.225078D+01
      2   0.135069D+00 -0.392302D+01  0.315651D+00  0.487919D+01 -0.172392D+00
      3  -0.695060D+00  0.275760D+01 -0.209619D+01  0.150370D+01  0.884363D+01
               101           102           103           104           105 
      1  -0.237013D+01 -0.410486D+01 -0.100373D+01  0.795108D+01 -0.186334D+01
      2  -0.289022D+00  0.530915D+01  0.138904D+01 -0.140093D+01  0.139964D+01
      3  -0.107192D+02 -0.253186D+01  0.127764D+00  0.107018D+02  0.356071D+01
               106           107           108           109           110 
      1  -0.294146D+01  0.543101D+01  0.390360D+01  0.359528D+01  0.141988D+01
      2  -0.186037D+01  0.908046D+00 -0.181880D+01  0.102844D+02 -0.377673D+01
      3  -0.538917D+01  0.562239D+01  0.216185D+01  0.786124D+01  0.945546D+01
               111           112           113           114           115 
      1  -0.121122D+01  0.191270D+01  0.228034D+01 -0.394191D+01 -0.157103D+01
      2   0.790350D+00 -0.432752D+01  0.100749D+02  0.733036D+01 -0.928598D+01
      3  -0.335645D+00  0.204858D+02 -0.979676D-01 -0.116032D+02  0.730930D+00
               116           117           118           119           120 
      1  -0.326704D+01 -0.290046D+01 -0.476135D-01  0.116979D+01  0.364287D+00
      2   0.778736D+01 -0.498696D+01 -0.272460D+01 -0.318018D+00 -0.437142D+00
      3  -0.112816D+02 -0.640790D+01  0.282986D+00  0.123786D+00  0.320206D+00
               121           122           123           124           125 
      1   0.228898D+00 -0.156334D+01 -0.811255D-01  0.325725D+00  0.515232D+01
      2  -0.748779D-01 -0.235151D+01  0.108117D+01 -0.587362D+01  0.528006D+00
      3   0.255074D+01 -0.182251D+01  0.188305D+01  0.637654D+00  0.270249D+01
               126           127           128           129           130 
      1  -0.136741D+01  0.171835D+01 -0.652177D+00 -0.344892D+01  0.760349D+00
      2  -0.142655D+02 -0.261838D+01 -0.863920D-01  0.529047D+01  0.673356D+00
      3  -0.206245D+01  0.578206D+01 -0.802797D+01 -0.276355D+01  0.442554D+01
               131           132           133           134           135 
      1   0.117657D+02 -0.247086D+01 -0.202776D+01  0.628232D+01  0.592274D+01
      2  -0.477955D+01  0.272807D+00 -0.813904D+00  0.269380D+00 -0.279923D+01
      3   0.935931D+01  0.501372D+01 -0.610672D+01  0.942373D+01  0.326639D+01
               136           137           138           139           140 
      1  -0.215204D+01  0.119450D+00 -0.117103D+01  0.659796D+00 -0.183066D+01
      2   0.132470D+01  0.597771D+00  0.183479D+01  0.772129D+00  0.800652D+00
      3   0.109857D+01 -0.205790D+01  0.200282D+01  0.352341D-01  0.176091D+01
               141           142           143           144           145 
      1   0.541755D+00 -0.116898D+01  0.538733D+01 -0.104273D+02 -0.133552D+00
      2  -0.124810D+01 -0.368279D+01 -0.150418D+00  0.107271D+02  0.525680D+01
      3  -0.120622D+01  0.360634D+01 -0.198265D+01  0.290407D+01 -0.208353D+02
               146           147           148           149           150 
      1  -0.337662D+00  0.356348D+01  0.749605D-02  0.171771D+00 -0.113250D+01
      2  -0.102839D+01  0.313689D+01 -0.806762D+00  0.647070D+00 -0.103460D+01
      3  -0.297377D+00  0.666312D+00  0.198918D+01 -0.224185D+01 -0.650268D+00
               151           152           153           154           155 
      1   0.124163D+01 -0.156014D+00 -0.805822D+00  0.157668D-01  0.103610D+00
      2   0.486819D+00 -0.653698D+00 -0.348682D+00 -0.227039D+01 -0.184528D+01
      3  -0.940533D+00 -0.508747D+00 -0.671211D+00 -0.809075D+01 -0.917520D+01
               156           157           158           159           160 
      1  -0.786585D+00  0.410653D+00 -0.869244D+00 -0.917333D+00 -0.278238D+00
      2   0.442227D+01 -0.262843D+01 -0.286262D+01  0.425981D+01  0.222557D+01
      3   0.195559D+01 -0.811037D+01 -0.155358D+02  0.279346D+01  0.327533D+01
               161           162           163           164           165 
      1   0.683434D+00  0.383575D+00 -0.173259D+01  0.240201D+01  0.166907D+01
      2   0.191888D+01 -0.160251D+01  0.259112D+00 -0.139556D+00 -0.571631D+00
      3   0.462788D+01 -0.176522D+01 -0.553085D+01  0.558140D+01  0.204354D+01
               166           167           168           169           170 
      1   0.135859D+01 -0.755341D+01 -0.589301D+01  0.808480D+00 -0.319031D+01
      2  -0.446097D-01  0.803469D+00  0.151502D+01 -0.106413D+01  0.998560D+00
      3   0.721907D+01 -0.151413D+02 -0.257331D+01  0.328476D+01 -0.447281D+01
               171           172           173           174           175 
      1  -0.172266D+01  0.290390D+01  0.314209D+01  0.191373D+01  0.148593D+01
      2   0.458310D+00 -0.590398D+00 -0.645223D+01  0.131411D+02 -0.509158D+01
      3  -0.200592D+01 -0.900907D+01 -0.117846D+02  0.296784D+01 -0.716718D+01
               176           177           178           179           180 
      1   0.389302D+01 -0.403599D+01  0.581483D+00  0.563288D+01  0.562063D+01
      2  -0.245340D+01  0.456336D+01  0.470674D+01 -0.517369D+00  0.143176D+02
      3  -0.669445D+01  0.381113D+00  0.173779D+01  0.127691D+01 -0.928446D-01
               181           182           183           184           185 
      1  -0.237636D+01 -0.191237D+01 -0.399689D+00 -0.210832D+01 -0.372544D+01
      2  -0.937841D+00  0.347127D-01  0.449375D+01  0.113466D+01 -0.325317D+01
      3  -0.922847D+01 -0.973132D+01  0.211524D+01 -0.831120D+01 -0.161719D+02
               186           187           188           189           190 
      1   0.483168D-01  0.427266D+00  0.258279D+01 -0.724368D+00  0.660198D-01
      2   0.487243D+01  0.209588D+01  0.233843D+01 -0.149639D+01 -0.341151D+01
      3   0.522111D+01  0.166290D+01  0.452325D+01 -0.319935D+01  0.246834D+01
               191           192           193           194           195 
      1  -0.117650D+01  0.994551D+00 -0.139537D+01  0.327482D+01 -0.270266D+01
      2   0.145695D+01  0.321386D+01  0.109787D+01 -0.687784D+01 -0.105634D+02
      3  -0.533530D+01 -0.120466D+01 -0.485101D+01  0.150477D+02  0.797567D+01
               196           197           198           199           200 
      1   0.498575D+00  0.170387D+01 -0.173412D+01 -0.366058D+00  0.204882D+01
      2   0.219707D+01 -0.716154D+01 -0.102498D+02  0.875473D+00 -0.521075D+00
      3  -0.154318D+01  0.768314D+01  0.674950D+01 -0.236451D+01  0.422196D+01
               201           202           203           204           205 
      1   0.169157D+01  0.574462D+00 -0.748006D+01 -0.678837D+01  0.422383D+00
      2  -0.308140D+00 -0.743999D+00  0.282959D+01  0.271348D+01 -0.982614D+00
      3   0.167577D+01  0.516519D+01 -0.164383D+02 -0.404552D+01  0.270014D+01
               206           207           208           209           210 
      1  -0.567437D+01 -0.364207D+01 -0.251480D+01 -0.310045D+01 -0.707147D+00
      2   0.261709D+01  0.140976D+01  0.647227D+01  0.546994D+01 -0.593416D+01
      3  -0.767545D+01 -0.356373D+01  0.844702D+01  0.721793D+01 -0.274104D+01
               211           212           213           214           215 
      1  -0.249727D+01 -0.336299D+01 -0.527513D+00  0.312000D+00  0.207238D+01
      2   0.505389D+01  0.780693D+01 -0.768237D+01 -0.330641D+01 -0.410378D+01
      3   0.802061D+01  0.101551D+02 -0.503885D+01 -0.188711D+01 -0.489475D+01
               216 
      1   0.487494D+00
      2   0.652253D+01
      3   0.369885D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.679680D+01 -0.785016D+01 -0.763404D+00 -0.417880D+01  0.821825D+01
      2  -0.270821D+01  0.121485D+02 -0.246204D-01  0.762450D+01 -0.181494D+02
      3  -0.408859D+01 -0.429835D+01  0.788025D+00 -0.344570D+01  0.993119D+01
      4  -0.148045D+01 -0.714870D+01  0.313312D-02 -0.121928D+02  0.107199D+02
      5   0.168685D+01 -0.205291D+01 -0.485223D+01 -0.473871D+01  0.142519D+01
      6   0.176454D+01  0.274521D+01  0.747538D+01  0.307085D+01 -0.871185D+01
                 6             7             8             9            10 
      1   0.429948D+01  0.181108D+01  0.495599D+01  0.838850D+01 -0.339899D+02
      2  -0.143074D+01  0.317797D+01 -0.135305D+02  0.524016D+01  0.189495D+02
      3  -0.286874D+01 -0.498905D+01  0.857452D+01 -0.136287D+02  0.150404D+02
      4   0.243299D+01 -0.268861D+01  0.705260D+01  0.728428D+01  0.479627D+01
      5   0.446796D+01 -0.453479D+01  0.441383D+01 -0.200204D+02 -0.141059D+01
      6  -0.107799D+02  0.593628D+01 -0.708086D+01  0.246557D+02 -0.473735D+00
                11            12            13            14            15 
      1  -0.126885D+01  0.347032D+01  0.301629D+01  0.973067D+01 -0.561299D+00
      2   0.368262D+01  0.223489D+01 -0.179439D+01 -0.300701D+01 -0.128569D+01
      3  -0.241377D+01 -0.570521D+01 -0.122190D+01 -0.672366D+01  0.184699D+01
      4  -0.137512D+01 -0.221501D+00  0.873605D+01  0.448141D+00 -0.252180D+01
      5  -0.444059D+00 -0.169711D+01  0.128807D+01 -0.149606D+01 -0.649608D+01
      6  -0.125259D+00  0.246916D+01 -0.128886D+01  0.256969D+00 -0.141992D+00
                16            17            18            19            20 
      1  -0.509216D+01  0.176716D+01  0.175190D+02 -0.344234D+01  0.619269D+01
      2   0.350937D+01 -0.512983D+01  0.456868D+01  0.102911D+01 -0.120570D+02
      3   0.158279D+01  0.336267D+01 -0.220877D+02  0.241323D+01  0.586434D+01
      4   0.281555D+01 -0.352084D+01 -0.360748D+01 -0.278408D+01 -0.100839D+02
      5   0.637632D+01 -0.389430D+01  0.277247D+02  0.131661D+01  0.360332D+01
      6   0.842939D+00 -0.407956D+00  0.661778D+01 -0.563806D+00  0.430437D+01
                21            22            23            24            25 
      1  -0.215142D+01  0.145616D+01 -0.232397D+01 -0.478586D+01  0.251610D+01
      2   0.495301D+00 -0.778174D+01 -0.220039D+01  0.268977D+01  0.418623D+01
      3   0.165612D+01  0.632558D+01  0.452436D+01  0.209609D+01 -0.670233D+01
      4   0.122570D+01 -0.157882D+02 -0.822202D+01  0.176877D+01  0.491049D+01
      5  -0.597483D+01  0.261986D+01  0.395815D+01 -0.948844D+00 -0.381530D+01
      6  -0.789784D+01  0.316245D+01  0.619532D+01 -0.406971D+01 -0.474675D+01
                26            27            28            29            30 
      1  -0.142972D+01  0.439906D+00 -0.183183D+02  0.941502D+01 -0.161094D+01
      2   0.635642D+01  0.911729D+01  0.885523D+01 -0.106098D+02  0.116866D+01
      3  -0.492670D+01 -0.955719D+01  0.946308D+01  0.119479D+01  0.442275D+00
      4   0.744067D+01 -0.198225D+01 -0.218392D+01 -0.230929D+01 -0.421185D+00
      5   0.652609D+00 -0.134748D+02 -0.210611D+01 -0.112177D+01 -0.318830D+01
      6   0.331152D+00 -0.193417D+02 -0.117146D-01 -0.247983D+01 -0.195894D+01
                31            32            33            34            35 
      1   0.391013D+01  0.154363D+02 -0.394619D+01 -0.590853D+01 -0.106394D+01
      2  -0.270453D+01 -0.155342D+02 -0.474916D+01  0.216650D+01 -0.101195D+01
      3  -0.120560D+01  0.979341D-01  0.869535D+01  0.374203D+01  0.207589D+01
      4  -0.487157D+01 -0.956370D+01 -0.567254D+01  0.458909D+01 -0.278493D+01
      5   0.215023D+01 -0.832375D+01 -0.103425D+02 -0.785518D-01 -0.325805D+01
      6  -0.461514D+01  0.384234D+01 -0.358740D+01 -0.174686D+01  0.794690D+00
                36            37            38            39            40 
      1   0.210929D+02  0.175557D+02 -0.231016D+01  0.222404D+01 -0.784151D+00
      2   0.162020D+02 -0.107908D+02  0.195885D+01 -0.171338D+01  0.164353D+01
      3  -0.372949D+02 -0.676498D+01  0.351308D+00 -0.510656D+00 -0.859383D+00
      4  -0.367834D+01 -0.870245D+01  0.185978D+02  0.139303D+00  0.172012D+02
      5   0.248427D+02  0.259759D+01  0.481252D+00  0.221042D+02 -0.188515D+01
      6   0.125767D+01  0.175838D+01  0.267700D+00  0.657811D+01  0.122674D+01
                41            42            43            44            45 
      1  -0.167113D+02  0.354259D+01  0.401723D+01  0.257277D+01 -0.714822D+01
      2   0.240746D+02  0.193809D+01 -0.458515D+01 -0.352129D+01 -0.482949D+01
      3  -0.736330D+01 -0.548068D+01  0.567924D+00  0.948518D+00  0.119777D+02
      4  -0.279370D+00  0.726868D+00 -0.625341D+01 -0.765190D+00 -0.209941D+01
      5   0.180904D+01  0.355734D+01  0.698584D+01 -0.166048D+01  0.108921D+01
      6  -0.373279D+00  0.947613D+01 -0.140750D+01  0.702353D+01  0.243820D+00
                46            47            48            49            50 
      1  -0.156443D+02  0.455538D+01  0.259463D+01 -0.449857D+01 -0.189705D+01
      2   0.130657D+02 -0.657810D+01  0.133695D+01 -0.439180D+01 -0.678635D+01
      3   0.257860D+01  0.202272D+01 -0.393158D+01  0.889037D+01  0.868340D+01
      4   0.548950D+01 -0.191187D+02 -0.229718D+01 -0.204410D+02 -0.111154D+02
      5   0.891407D+00 -0.194430D+00 -0.212583D+02  0.232784D+01  0.180891D+01
      6  -0.114628D+01  0.165766D+01 -0.102679D+02  0.304987D+00  0.582205D+01
                51            52            53            54            55 
      1  -0.489857D+01  0.514734D+01 -0.456371D+01  0.689550D+01 -0.163012D+02
      2  -0.131163D+01  0.356972D+01  0.736654D+01  0.199230D+02  0.688830D+01
      3   0.621020D+01 -0.871706D+01 -0.280283D+01 -0.268185D+02  0.941285D+01
      4   0.249819D+01  0.216324D+01  0.552469D+01 -0.973663D+00  0.253464D+02
      5   0.263188D+01 -0.901107D+01  0.679200D+00 -0.255310D+02  0.110987D+01
      6  -0.520265D+01 -0.478218D+01  0.749474D+00 -0.232102D+02  0.286431D+01
                56            57            58            59            60 
      1   0.360709D+01 -0.672320D+00  0.370807D+01 -0.293816D+02 -0.854274D+01
      2  -0.195604D+01  0.240711D+01 -0.730103D+01  0.489737D+02  0.598253D+01
      3  -0.165104D+01 -0.173479D+01  0.359297D+01 -0.195921D+02  0.256021D+01
      4   0.291244D+01  0.123421D+01  0.135250D+02 -0.238144D+02 -0.550209D+01
      5  -0.510600D+00  0.545079D+01  0.271278D+01 -0.395431D+01 -0.213030D+01
      6  -0.521188D+00  0.172312D+00 -0.280376D+01  0.143821D+02  0.153003D+02
                61            62            63            64            65 
      1  -0.175401D+01 -0.107845D+02 -0.116776D+02  0.127145D+01  0.105050D+01
      2  -0.111235D+01  0.153357D+02  0.219490D+01 -0.368274D+01 -0.187582D+01
      3   0.286636D+01 -0.455120D+01  0.948274D+01  0.241129D+01  0.825325D+00
      4   0.790905D+01 -0.104284D+02 -0.670760D+01 -0.171207D+01  0.419989D+01
      5   0.786339D+01 -0.610016D+01 -0.387540D+01  0.481654D+01 -0.126893D+01
      6  -0.430628D+01  0.188469D+02  0.865847D+01 -0.410256D+01  0.497683D+00
                66            67            68            69            70 
      1   0.194077D+01  0.108954D+01 -0.421276D+01  0.339404D+01  0.172741D+01
      2  -0.297463D+01 -0.178468D+01  0.335369D+01 -0.306927D+01 -0.314834D+01
      3   0.103386D+01  0.695143D+00  0.859062D+00 -0.324763D+00  0.142093D+01
      4  -0.365538D+01  0.389427D+01 -0.313231D+01  0.297001D+01 -0.559214D+01
      5   0.968613D+01 -0.260927D+00  0.282760D+01 -0.185734D+01  0.777845D+01
      6  -0.281423D+01  0.105086D+01 -0.444873D+01  0.896596D+01 -0.415230D+01
                71            72            73            74            75 
      1   0.497080D+01 -0.144828D+02  0.560742D+02 -0.163275D+02  0.223696D+01
      2  -0.432089D+01 -0.134036D+02 -0.339052D+02  0.780179D+01 -0.253341D+01
      3  -0.649903D+00  0.278863D+02 -0.221690D+02  0.852573D+01  0.296456D+00
      4   0.488295D+01 -0.474782D+01 -0.197331D+02  0.412292D+01  0.388011D+01
      5  -0.301764D+01  0.211049D+02  0.579979D+01  0.491877D+01  0.111819D+02
      6   0.843212D+01 -0.270243D+02  0.770653D+00  0.619926D+00 -0.188971D+01
                76            77            78            79            80 
      1  -0.337309D+02 -0.987428D+01  0.442984D+01  0.181832D+02  0.434242D+01
      2   0.182869D+02  0.912722D+01 -0.238661D+01 -0.995852D+01 -0.194434D+01
      3   0.154440D+02  0.747054D+00 -0.204323D+01 -0.822466D+01 -0.239808D+01
      4  -0.197466D+01 -0.242025D+02  0.714729D+01  0.418026D+01  0.925849D+01
      5   0.587044D+01  0.816565D+01 -0.578107D+01  0.129322D+02 -0.354316D+01
      6   0.207110D+01  0.219947D+01  0.550165D+01 -0.101308D+01  0.393105D+01
                81            82            83            84            85 
      1   0.148915D+01  0.519859D+00  0.330412D+00 -0.651557D+01  0.801143D+00
      2  -0.788737D+01 -0.377432D+01 -0.102958D+00  0.825283D+00 -0.388827D+00
      3   0.639821D+01  0.325446D+01 -0.227454D+00  0.569028D+01 -0.412316D+00
      4  -0.330056D+01 -0.307766D+00  0.292518D+00 -0.252113D+00  0.157445D+00
      5   0.351045D+01 -0.218114D+01 -0.345680D+00  0.349683D+01 -0.234579D+00
      6   0.682814D+00 -0.885888D+00  0.577286D+00 -0.747993D+00  0.336408D+00
                86            87            88            89            90 
      1  -0.576230D+01  0.238053D+01 -0.923171D+01  0.199236D+01 -0.210000D+02
      2   0.113302D+01  0.144787D+00  0.379083D+01  0.759061D+00 -0.160794D+02
      3   0.462928D+01 -0.252532D+01  0.544088D+01 -0.275142D+01  0.370794D+02
      4   0.164832D+01 -0.255528D+01 -0.101367D+01 -0.454966D+01  0.207394D+01
      5  -0.292407D+01  0.276241D+01  0.447042D+01  0.265461D+01 -0.254160D+02
      6  -0.196095D+01  0.846327D+01 -0.281882D+00  0.526196D+01 -0.591825D+01
                91            92            93            94            95 
      1   0.254524D+01 -0.244343D+01  0.202079D+01 -0.199608D+01 -0.576679D+00
      2  -0.406463D+01  0.326626D+01 -0.189972D+01  0.249621D+01 -0.126396D+01
      3   0.151939D+01 -0.822832D+00 -0.121071D+00 -0.500134D+00  0.184064D+01
      4   0.494827D+00  0.370164D+01  0.144444D+01  0.415258D+01  0.624154D+00
      5   0.410334D+01 -0.808379D+00  0.719535D+01 -0.365417D+00  0.245818D+01
      6   0.234779D+01 -0.222974D-01  0.234050D+01  0.536300D+00  0.145043D+01
                96            97            98            99           100 
      1  -0.158466D+01  0.217100D+01 -0.346666D+01 -0.108838D+02  0.146653D+02
      2   0.236645D+01 -0.413550D+01  0.574607D+01 -0.153226D+02 -0.331250D+01
      3  -0.781799D+00  0.196450D+01 -0.227941D+01  0.262064D+02 -0.113528D+02
      4   0.283881D+01  0.316614D+01  0.398951D+01  0.138336D+01  0.224507D+02
      5   0.854585D-01  0.726430D+01 -0.420429D+00  0.163523D+02 -0.483643D+01
      6   0.507391D+01  0.286148D+01  0.392749D+01  0.181222D+02 -0.640844D+01
               101           102           103           104           105 
      1  -0.986269D+01 -0.867120D+00 -0.320244D+01  0.889815D+01  0.827782D+01
      2   0.232021D+02  0.329838D+01  0.131946D+02 -0.824465D+01 -0.976651D+01
      3  -0.133394D+02 -0.243126D+01 -0.999218D+01 -0.653494D+00  0.148869D+01
      4   0.257707D+02 -0.441386D+01  0.230008D+02  0.146937D+02 -0.452719D+01
      5  -0.120076D+01  0.111592D+02 -0.145946D+01 -0.817627D+01  0.164158D+01
      6  -0.306410D+01  0.711610D+01 -0.254460D+01 -0.128835D+02  0.912837D+01
               106           107           108           109           110 
      1  -0.304712D+01  0.127530D+02 -0.358540D+01  0.980632D+01 -0.174133D+02
      2   0.869692D+00 -0.201389D+02 -0.412386D+01 -0.747073D+01  0.131672D+02
      3   0.217743D+01  0.738586D+01  0.770926D+01 -0.233560D+01  0.424609D+01
      4  -0.919629D+01 -0.116300D+02  0.714260D+01 -0.142024D+02 -0.182684D+02
      5   0.105346D+02  0.379131D+01 -0.413810D+01  0.975467D+01  0.149537D+00
      6   0.867676D+01  0.116865D+02 -0.884657D+01 -0.193756D+01  0.640021D+01
               111           112           113           114           115 
      1   0.951627D+01 -0.181392D+02 -0.235253D+02  0.358857D+01  0.965065D+01
      2  -0.199824D+01  0.132549D+02  0.772518D+01 -0.804600D+01 -0.339276D+01
      3  -0.751803D+01  0.488429D+01  0.158001D+02  0.445743D+01 -0.625788D+01
      4  -0.210672D+01 -0.302194D+02  0.878690D+01  0.263770D+02 -0.126966D+01
      5  -0.996442D+01  0.180503D+00  0.303004D+02  0.172165D+02 -0.354889D+02
      6   0.376378D+01  0.103877D+02 -0.101149D+02 -0.115499D+02  0.102284D+02
               116           117           118           119           120 
      1   0.419765D+01 -0.137644D+02  0.179723D+01 -0.310626D+00 -0.516405D+01
      2  -0.342098D+01  0.806552D+01 -0.508034D+01  0.259680D+00  0.137328D+01
      3  -0.776671D+00  0.569884D+01  0.328311D+01  0.509461D-01  0.379077D+01
      4   0.211865D+02  0.207136D+02 -0.285437D+00  0.163903D+01  0.112001D+01
      5   0.199959D+02 -0.390682D+01 -0.379221D+01 -0.731618D-01  0.652197D+01
      6  -0.210041D+02 -0.476400D+01  0.503493D+00  0.927685D+00 -0.255559D+00
               121           122           123           124           125 
      1   0.165750D+00 -0.614338D+01  0.880784D+00 -0.510891D+01  0.158111D+01
      2  -0.608200D+00  0.109188D+01  0.196718D+01  0.596807D+01  0.115758D+01
      3   0.442450D+00  0.505150D+01 -0.284797D+01 -0.859160D+00 -0.273869D+01
      4   0.162819D+01  0.202094D+01 -0.215879D+01  0.112354D+01 -0.303122D+01
      5  -0.736090D+00 -0.293953D+01  0.294220D+01  0.845961D+01  0.175031D+01
      6   0.311078D+00 -0.555200D+00  0.837680D+01  0.750398D+00  0.627811D+01
               126           127           128           129           130 
      1  -0.254019D+02  0.136616D+02 -0.693112D+01 -0.336312D+01  0.329980D+00
      2  -0.226167D+02 -0.291107D+00  0.201183D+02  0.462464D+01  0.105368D+02
      3   0.480186D+02 -0.133705D+02 -0.131872D+02 -0.126153D+01 -0.108668D+02
      4   0.189694D+01  0.195547D+02  0.266146D+02 -0.337832D+01  0.240000D+02
      5  -0.253870D+02 -0.245847D+01  0.962289D+00  0.981207D+01 -0.684536D+00
      6   0.219221D+01 -0.396294D+01  0.199804D+01  0.680942D+01  0.623675D+00
               131           132           133           134           135 
      1   0.119841D+02  0.121880D+02 -0.613589D+01  0.189259D+02 -0.253276D+00
      2  -0.969758D+01 -0.151059D+02  0.140688D+01 -0.324946D+02 -0.808068D+01
      3  -0.228648D+01  0.291790D+01  0.472901D+01  0.135687D+02  0.833395D+01
      4   0.136495D+02 -0.586032D+01 -0.100713D+02 -0.167112D+02  0.460241D+01
      5  -0.758030D+01  0.208243D+00  0.943655D+01  0.747621D+00 -0.420583D+01
      6  -0.214702D+02  0.592996D+01  0.688940D+01  0.506504D+01 -0.107844D+02
               136           137           138           139           140 
      1   0.228183D+01 -0.503326D+00  0.214686D+01 -0.131556D+01 -0.246041D+01
      2  -0.574353D+01  0.661059D+00 -0.312074D+01  0.238812D+01 -0.590934D+00
      3   0.346170D+01 -0.157732D+00  0.973884D+00 -0.107256D+01  0.305134D+01
      4   0.159251D+01  0.418236D+01  0.380438D+01  0.399525D+01  0.436110D+00
      5   0.633842D+01  0.803746D+00  0.115882D+02 -0.768647D+00  0.318712D+01
      6   0.401380D+01  0.104398D+01  0.327135D+01  0.851004D+00  0.211457D+01
               141           142           143           144           145 
      1  -0.118771D+01  0.895604D+00 -0.265075D+01 -0.168896D+02  0.261590D+02
      2   0.433166D+01 -0.505785D+01  0.435617D+01 -0.222565D+02 -0.504186D+01
      3  -0.314395D+01  0.416225D+01 -0.170542D+01  0.391462D+02 -0.211171D+02
      4   0.253791D+01  0.631759D+01  0.618993D+01  0.257511D+01 -0.409115D+02
      5  -0.280554D+01  0.118646D+02  0.178196D+01  0.260582D+02 -0.676725D+01
      6   0.558463D+01  0.486507D+01  0.671751D+01  0.236381D+02  0.194954D+01
               146           147           148           149           150 
      1  -0.184675D+01  0.144346D+00 -0.278368D+01  0.166475D+01  0.884012D-01
      2  -0.956814D+01 -0.125604D+00 -0.261557D+01  0.378913D+01 -0.510105D+00
      3   0.114149D+02 -0.187419D-01  0.539925D+01 -0.545388D+01  0.421704D+00
      4   0.217079D+02  0.352177D+01  0.116240D+02 -0.718859D+01 -0.796060D+00
      5   0.308555D+01  0.510093D+01  0.153482D+01 -0.563811D+00 -0.239739D+01
      6  -0.317085D+01 -0.638355D+01 -0.135224D+01  0.735400D+00  0.194179D+01
               151           152           153           154           155 
      1   0.133237D+01 -0.133139D+00  0.115297D+01  0.330917D+02  0.156453D+02
      2  -0.298833D+00 -0.205900D+00 -0.483162D+00 -0.167580D+02 -0.775908D+01
      3  -0.103354D+01  0.339039D+00 -0.669810D+00 -0.163337D+02 -0.788620D+01
      4  -0.942686D+00  0.331728D+00 -0.295843D+01  0.161178D+02  0.162179D+02
      5   0.402686D+01 -0.159369D+01 -0.101470D+01 -0.594299D+01 -0.390561D+01
      6  -0.290513D+01  0.244776D+01  0.211204D+01 -0.121145D+01 -0.857164D+00
               156           157           158           159           160 
      1  -0.499402D+01  0.300592D+02  0.150251D+02 -0.458616D+01 -0.986183D+01
      2   0.234631D+01 -0.154892D+02 -0.532314D+01  0.252691D+01  0.583916D+01
      3   0.264771D+01 -0.145700D+02 -0.970199D+01  0.205925D+01  0.402267D+01
      4  -0.335405D+01  0.191921D+02  0.225113D+02 -0.554327D+01 -0.601169D+01
      5   0.809482D+01 -0.645470D+01 -0.615513D+01  0.706920D+01  0.756110D+01
      6   0.110311D+01 -0.178269D+01 -0.179639D+01  0.105511D+01  0.150605D+01
               161           162           163           164           165 
      1  -0.537899D+01  0.517615D+01 -0.261723D+01  0.855839D+01  0.907491D+00
      2   0.302207D+01 -0.308949D+01  0.393278D+01 -0.132219D+02 -0.210018D+01
      3   0.235692D+01 -0.208666D+01 -0.131555D+01  0.466352D+01  0.119269D+01
      4  -0.713796D+01  0.382804D+01 -0.265517D+01 -0.713009D+00  0.127627D+01
      5   0.457203D+01 -0.376604D+01  0.379001D+00 -0.126141D+01 -0.149896D+01
      6   0.215945D+01 -0.165244D+01  0.165171D+01 -0.438731D+00 -0.132989D+01
               166           167           168           169           170 
      1   0.508720D+01 -0.295083D+02 -0.275169D+01  0.135479D+01 -0.798648D+01
      2  -0.426279D+01  0.517115D+02  0.681602D+01 -0.124768D+01  0.132945D+02
      3  -0.824415D+00 -0.222032D+02 -0.406434D+01 -0.107111D+00 -0.530805D+01
      4   0.715995D+01  0.138735D+02  0.100239D+01  0.214658D+01  0.389328D+01
      5  -0.150722D+01  0.367230D+01  0.346239D+01  0.280729D+00  0.242089D+01
      6  -0.930226D+00  0.140836D+01  0.761367D+01 -0.102869D+01  0.579920D+01
               171           172           173           174           175 
      1  -0.395062D+01  0.345762D+02  0.110186D+02  0.324369D+01  0.153426D+02
      2   0.522692D+01 -0.206837D+02 -0.942279D+01 -0.567552D+01 -0.119601D+02
      3  -0.127629D+01 -0.138926D+02 -0.159578D+01  0.243183D+01 -0.338255D+01
      4   0.849833D+00 -0.427539D+01  0.169144D+02 -0.743524D+01  0.153635D+02
      5   0.480166D+00  0.165925D+02 -0.425168D+01  0.214949D+02 -0.225353D+01
      6   0.222212D+01 -0.282422D+00  0.891284D+01 -0.766400D+01  0.621622D+01
               176           177           178           179           180 
      1   0.152767D+02 -0.543214D+01  0.727877D+01 -0.857326D+01  0.771968D+01
      2  -0.580120D+01  0.295160D+01 -0.721898D+01  0.292753D+01 -0.222229D+02
      3  -0.947547D+01  0.248054D+01 -0.597945D-01  0.564573D+01  0.145032D+02
      4   0.288083D+01  0.296234D+01 -0.859341D+01  0.834540D+00 -0.103503D+02
      5   0.444277D+01  0.464212D+01  0.346343D+02 -0.936586D+01  0.300179D+02
      6   0.405227D+01  0.211313D+01 -0.101250D+02  0.130812D+02 -0.367356D+01
               181           182           183           184           185 
      1   0.357049D+02  0.187622D+02 -0.797181D+01  0.297429D+02  0.160935D+02
      2  -0.193455D+02 -0.999485D+01  0.483803D+01 -0.166748D+02 -0.587258D+01
      3  -0.163593D+02 -0.876738D+01  0.313379D+01 -0.130681D+02 -0.102209D+02
      4   0.172146D+02  0.162690D+02 -0.327078D+01  0.188156D+02  0.244543D+02
      5  -0.121162D+02 -0.559395D+01  0.112061D+02 -0.882692D+01 -0.121593D+02
      6  -0.149510D+01 -0.303905D+01  0.443958D+00 -0.337389D+01 -0.301180D+01
               186           187           188           189           190 
      1  -0.514703D+01 -0.890183D+01 -0.266692D+01  0.705957D+01  0.131661D+02
      2   0.444322D+01  0.606846D+01  0.282884D+01 -0.600817D+01 -0.452319D+01
      3   0.703809D+00  0.283338D+01 -0.161920D+00 -0.105140D+01 -0.864291D+01
      4  -0.994563D+01 -0.312510D+01 -0.788214D+01  0.528436D+01 -0.136824D+02
      5   0.101965D+02  0.135379D+02  0.707344D+01 -0.708354D+01 -0.135062D+02
      6   0.299683D+01  0.842952D+00  0.448363D+01 -0.224195D+01  0.605147D+01
               191           192           193           194           195 
      1  -0.776537D+01 -0.899660D+01 -0.127124D+02  0.437813D+01 -0.230033D-01
      2   0.140865D+01  0.445586D+01  0.211170D+01  0.995112D+01  0.330746D+01
      3   0.635673D+01  0.454073D+01  0.106007D+02 -0.143293D+02 -0.328446D+01
      4   0.158487D+02  0.783041D+01  0.263735D+02 -0.367158D+02 -0.204915D+02
      5   0.736023D+01  0.117547D+02  0.134797D+02 -0.218214D+02 -0.239278D+02
      6  -0.474660D+01 -0.468550D+01 -0.877594D+01  0.177092D+02  0.162836D+02
               196           197           198           199           200 
      1  -0.104494D+02 -0.995390D-01  0.161241D+01 -0.164494D+01  0.955047D+01
      2   0.574219D+01  0.195295D+01 -0.321911D+01  0.348565D+01 -0.137560D+02
      3   0.470718D+01 -0.185341D+01  0.160671D+01 -0.184071D+01  0.420555D+01
      4   0.117209D+02 -0.177827D+02 -0.180190D+02  0.485042D+00  0.195017D+01
      5   0.182364D+02 -0.189241D+02 -0.254555D+02  0.398652D+00 -0.741910D+00
      6  -0.768947D+01  0.146353D+02  0.155265D+02  0.195411D+01 -0.437782D+01
               201           202           203           204           205 
      1   0.292706D+01  0.461483D+01 -0.344981D+02 -0.817295D+01  0.231666D+01
      2  -0.356075D+01 -0.235962D+01  0.602661D+02  0.130510D+02 -0.144427D+01
      3   0.633693D+00 -0.225521D+01 -0.257681D+02 -0.487806D+01 -0.872391D+00
      4   0.101490D+01  0.779516D+01  0.214503D+02  0.372243D+01  0.325002D+01
      5  -0.388630D+00  0.113959D-01  0.666181D+01  0.544082D+01  0.673343D+00
      6  -0.259593D+01 -0.545036D+00  0.161768D+02  0.116969D+02 -0.605441D+00
               206           207           208           209           210 
      1  -0.163682D+02 -0.801291D+01 -0.158933D+02 -0.117733D+02  0.758067D+01
      2   0.255310D+02  0.108410D+02  0.100590D+02  0.818775D+01 -0.261966D+01
      3  -0.916278D+01 -0.282813D+01  0.583429D+01  0.358553D+01 -0.496101D+01
      4   0.898476D+01  0.342797D+01  0.933396D+00 -0.734458D+01  0.388149D+01
      5   0.568114D+01  0.252263D+01 -0.225498D+01  0.198035D+01 -0.786765D+01
      6   0.144779D+02  0.794411D+01 -0.314791D+01 -0.710970D+01  0.694787D+01
               211           212           213           214           215 
      1  -0.170217D+02 -0.162171D+02  0.883673D+01  0.814743D+01  0.739345D+01
      2   0.106594D+02  0.140482D+02 -0.542866D+01 -0.363659D+01 -0.462853D+01
      3   0.636231D+01  0.216894D+01 -0.340807D+01 -0.451084D+01 -0.276492D+01
      4   0.239530D+00 -0.124043D+02  0.700218D+01  0.465523D+00  0.665461D+01
      5  -0.199977D+01  0.537681D+01 -0.963769D+01  0.137810D+01 -0.287740D+01
      6  -0.372434D+01 -0.114488D+02  0.898724D+01  0.295042D+01  0.694351D+01
               216 
      1  -0.760036D+01
      2   0.213838D+01
      3   0.546198D+01
      4  -0.263758D+01
      5   0.798462D+01
      6  -0.684641D+01
 Leave Link  716 at Wed Mar 16 19:35:18 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.121367D+03  0.155959D+01 -0.158736D+01
      2   0.155959D+01  0.114580D+03 -0.430204D+00
      3  -0.158736D+01 -0.430204D+00  0.991577D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.187967D+01 -0.979402D+01 -0.182272D+01
      2   0.119524D+02 -0.329143D+01  0.149013D+02
      3   0.189708D+01 -0.889477D+01  0.156150D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.207930D+02 -0.137825D+02  0.995007D+01
      2  -0.230967D+02  0.126451D+02  0.977177D+01
      3   0.230363D+01  0.113735D+01 -0.197218D+02
      4  -0.111676D+02 -0.652121D+01 -0.111228D+02
      5  -0.902371D+01 -0.101683D+02  0.313437D+02
      6  -0.840448D+01 -0.880012D+01 -0.194946D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.423371D+01  0.465254D+00  0.133902D+00 -0.394887D+00  0.347339D+01
      2   0.465254D+00  0.420421D+01  0.209407D+00  0.347339D+01 -0.211598D+01
      3   0.133902D+00  0.209407D+00  0.138513D+01  0.645997D+00 -0.179513D+01
                 6             7             8             9            10 
      1   0.645997D+00 -0.382907D+00  0.553919D+00  0.205458D+01  0.608567D+01
      2  -0.179513D+01  0.553919D+00 -0.331427D+01 -0.199521D+01 -0.931326D+00
      3  -0.400513D+00  0.205458D+01 -0.199521D+01  0.106888D+02  0.354748D-01
                11            12            13            14            15 
      1  -0.931326D+00  0.354748D-01 -0.117918D+01 -0.332808D+01 -0.224365D+00
      2  -0.309129D+01 -0.263218D-01 -0.332808D+01 -0.445828D+00  0.109466D+01
      3  -0.263218D-01 -0.352413D+01 -0.224365D+00  0.109466D+01  0.216842D+01
                16            17            18            19            20 
      1   0.139058D+01 -0.485927D+00 -0.196507D+01  0.351152D+01 -0.563273D+00
      2  -0.485927D+00  0.207542D+01  0.143637D+01 -0.563273D+00 -0.362763D+01
      3  -0.196507D+01  0.143637D+01 -0.101248D+02  0.573884D-01  0.576654D+00
                21            22            23            24            25 
      1   0.573884D-01 -0.119183D+01 -0.470560D+01  0.281738D+00  0.916305D+00
      2   0.576654D+00 -0.470560D+01  0.822876D+00  0.198216D+01  0.809749D+00
      3  -0.119437D+01  0.281738D+00  0.198216D+01  0.203161D+01 -0.212093D+01
                26            27            28            29            30 
      1   0.809749D+00 -0.212093D+01 -0.172982D+01  0.256089D+01 -0.662682D+00
      2   0.293645D+01  0.123193D+01  0.256089D+01  0.348603D+01 -0.184862D+00
      3   0.123193D+01 -0.982649D+01 -0.662682D+00 -0.184862D+00  0.462424D+00
                31            32            33            34            35 
      1   0.304512D+01  0.459968D+01  0.100914D+01 -0.262121D+01  0.531781D+00
      2   0.459968D+01 -0.105274D+01 -0.204957D+01  0.531781D+00 -0.290539D+01
      3   0.100914D+01 -0.204957D+01 -0.227482D+01  0.367153D+00 -0.960966D+00
                36            37            38            39            40 
      1   0.367153D+00  0.617808D+01 -0.216638D+01 -0.441695D+00 -0.398991D+01
      2  -0.960966D+00 -0.216638D+01 -0.106302D-01 -0.350746D+00 -0.125924D+01
      3   0.966280D+01 -0.441695D+00 -0.350746D+00 -0.630403D+00 -0.382765D+00
                41            42            43            44            45 
      1  -0.125924D+01 -0.382765D+00  0.277610D+01  0.647665D+00  0.198553D+00
      2  -0.473600D+01  0.796230D+00  0.647665D+00  0.179358D+01 -0.622474D+00
      3   0.796230D+00  0.108086D+01  0.198553D+00 -0.622474D+00 -0.150820D+01
                46            47            48            49            50 
      1  -0.569674D+01 -0.651608D+00  0.492048D+00  0.162103D+01  0.322258D+01
      2  -0.651608D+00  0.981497D+00  0.711374D+00  0.322258D+01 -0.753008D+00
      3   0.492048D+00  0.711374D+00  0.198000D+01 -0.238821D+00 -0.123653D+01
                51            52            53            54            55 
      1  -0.238821D+00 -0.944584D+00 -0.932361D-02  0.243628D+01  0.620755D+01
      2  -0.123653D+01 -0.932361D-02 -0.229912D+01 -0.939953D+00 -0.393502D-01
      3  -0.305783D+01  0.243628D+01 -0.939953D+00  0.102169D+02  0.616757D+00
                56            57            58            59            60 
      1  -0.393502D-01  0.616757D+00  0.969753D+00 -0.178505D+01 -0.447179D+00
      2   0.692575D+00  0.288273D+00 -0.178505D+01  0.814103D+01  0.210624D+01
      3   0.288273D+00  0.843445D+00 -0.447179D+00  0.210624D+01 -0.201740D+00
                61            62            63            64            65 
      1   0.159411D+01 -0.979962D+00 -0.985703D+00 -0.159444D+00  0.466411D-01
      2  -0.979962D+00  0.344377D+01  0.236224D+01  0.466411D-01 -0.111613D+01
      3  -0.985703D+00  0.236224D+01  0.472057D+00 -0.136837D+01  0.185873D+00
                66            67            68            69            70 
      1  -0.136837D+01  0.325163D+00 -0.880021D+00  0.139766D+00 -0.246515D+01
      2   0.185873D+00 -0.880021D+00  0.913274D+00 -0.119423D+01  0.364654D+00
      3  -0.114228D+01  0.139766D+00 -0.119423D+01  0.962775D+00 -0.130122D+01
                71            72            73            74            75 
      1   0.364654D+00 -0.130122D+01 -0.824960D+01  0.272668D+01 -0.155346D+00
      2  -0.217538D+01  0.131215D+01  0.272668D+01  0.127225D+01 -0.748477D+00
      3   0.131215D+01 -0.912148D+01 -0.155346D+00 -0.748477D+00  0.144700D+01
                76            77            78            79            80 
      1   0.593338D+01  0.564095D+00 -0.845845D+00 -0.310435D+01 -0.804542D+00
      2   0.564095D+00  0.433531D+01 -0.123404D+01 -0.804542D+00 -0.182151D+01
      3  -0.845845D+00 -0.123404D+01  0.804391D+00 -0.112365D+01  0.374497D+00
                81            82            83            84            85 
      1  -0.112365D+01 -0.953381D-01  0.391205D-01  0.135882D+01 -0.180628D+00
      2   0.374497D+00  0.391205D-01  0.744009D+00 -0.404490D-01  0.735621D+00
      3   0.123140D-01  0.135882D+01 -0.404490D-01  0.112190D+01 -0.517951D-01
                86            87            88            89            90 
      1   0.735621D+00 -0.517951D-01  0.233074D+01  0.120054D+00  0.270831D+00
      2  -0.600975D+00  0.105885D+01  0.120054D+00  0.187332D+01 -0.893160D+00
      3   0.105885D+01 -0.121441D+01  0.270831D+00 -0.893160D+00  0.964124D+01
                91            92            93            94            95 
      1   0.540585D+00 -0.249454D+00  0.136122D+01 -0.346260D-01  0.115845D+01
      2  -0.249454D+00  0.122984D+01  0.393695D-02  0.115845D+01 -0.412504D+00
      3   0.136122D+01  0.393695D-02  0.102799D+01  0.349897D-01  0.991502D+00
                96            97            98            99           100 
      1   0.349897D-01  0.261335D+01 -0.249152D+00  0.148581D+01  0.461873D+01
      2   0.991502D+00 -0.249152D+00  0.208838D+01 -0.891557D-01  0.237697D+01
      3  -0.181166D+00  0.148581D+01 -0.891557D-01  0.878189D+01 -0.142687D+01
               101           102           103           104           105 
      1   0.237697D+01 -0.142687D+01  0.958581D+00  0.427364D+01 -0.325094D-01
      2   0.505116D+01  0.486438D-01  0.427364D+01 -0.888294D+00 -0.218835D+01
      3   0.486438D-01  0.584074D+00 -0.325094D-01 -0.218835D+01 -0.151094D+01
               106           107           108           109           110 
      1  -0.212880D+01 -0.740197D+00  0.175141D+01  0.255814D+01 -0.270408D+01
      2  -0.740197D+00 -0.441225D+01  0.925248D+00 -0.270408D+01 -0.321617D+01
      3   0.175141D+01  0.925248D+00 -0.705562D+00  0.197148D+01 -0.252476D+00
               111           112           113           114           115 
      1   0.197148D+01 -0.223617D+01 -0.542266D+01 -0.619672D+00  0.327803D+01
      2  -0.252476D+00 -0.542266D+01  0.121248D+01  0.468290D+01 -0.934902D+00
      3  -0.744326D+00 -0.619672D+00  0.468290D+01  0.248044D+01 -0.425969D+01
               116           117           118           119           120 
      1  -0.934902D+00 -0.425969D+01  0.480632D+00 -0.184480D+00 -0.157465D+01
      2   0.480280D+01  0.326583D+01 -0.184480D+00 -0.544960D+00  0.516119D-01
      3   0.326583D+01 -0.738976D+00 -0.157465D+01  0.516119D-01 -0.257880D+00
               121           122           123           124           125 
      1  -0.148585D+00 -0.502997D+00 -0.304977D+00 -0.231912D+01 -0.370280D+00
      2  -0.502997D+00  0.740871D+00 -0.120780D+01 -0.370280D+00 -0.170231D+01
      3  -0.304977D+00 -0.120780D+01  0.752952D+00  0.679057D+00  0.578544D+00
               126           127           128           129           130 
      1   0.679057D+00 -0.313274D+01 -0.227438D+01  0.993095D+00 -0.162214D+01
      2   0.578544D+00 -0.227438D+01 -0.376290D+01 -0.377604D+00 -0.292036D+01
      3  -0.104897D+02  0.993095D+00 -0.377604D+00 -0.366616D+00 -0.839445D-01
               131           132           133           134           135 
      1  -0.292036D+01 -0.839445D-01  0.226132D+01  0.548612D+00 -0.147137D+01
      2   0.210654D+01  0.279447D+01  0.548612D+00  0.607896D+01 -0.183047D+00
      3   0.279447D+01  0.192215D+01 -0.147137D+01 -0.183047D+00  0.936822D+00
               136           137           138           139           140 
      1  -0.526616D+00 -0.369079D-01 -0.166267D+01 -0.197859D-01 -0.751641D+00
      2  -0.369079D-01 -0.454960D+00 -0.369071D+00 -0.751641D+00  0.129005D+00
      3  -0.166267D+01 -0.369071D+00 -0.124620D+01  0.109776D+00 -0.107071D+01
               141           142           143           144           145 
      1   0.109776D+00 -0.294435D+01 -0.591203D+00 -0.188156D+01 -0.862509D+01
      2  -0.107071D+01 -0.591203D+00 -0.178972D+01 -0.420267D+00  0.301230D+01
      3   0.599791D+00 -0.188156D+01 -0.420267D+00 -0.968228D+01  0.628771D+00
               146           147           148           149           150 
      1   0.301230D+01  0.628771D+00  0.168583D+01 -0.127553D+01 -0.175784D+00
      2  -0.365050D+01 -0.632329D+00 -0.127553D+01  0.126363D+01  0.284528D-01
      3  -0.632329D+00 -0.158220D+01 -0.175784D+00  0.284528D-01  0.684104D+00
               151           152           153           154           155 
      1  -0.195750D+00 -0.899607D-02 -0.545659D+00 -0.537681D+01 -0.253546D+01
      2  -0.899607D-02 -0.113191D+00  0.397954D+00 -0.253546D+01 -0.260832D+01
      3  -0.545659D+00  0.397954D+00  0.500277D+00  0.723995D+00  0.550163D+00
               156           157           158           159           160 
      1   0.723995D+00 -0.511081D+01 -0.278522D+01  0.783427D+00  0.188249D+01
      2   0.550163D+00 -0.278522D+01 -0.385199D+01  0.830834D+00  0.103396D+01
      3  -0.141604D+01  0.783427D+00  0.830834D+00 -0.113668D+01 -0.102809D+01
               161           162           163           164           165 
      1   0.103396D+01 -0.102809D+01 -0.886874D+00  0.635392D+00  0.401788D+00
      2   0.131278D+01 -0.582909D+00  0.635392D+00 -0.220680D+01 -0.247223D+00
      3  -0.582909D+00  0.583020D+00  0.401788D+00 -0.247223D+00 -0.283559D+00
               166           167           168           169           170 
      1   0.197206D+01 -0.105218D+00 -0.275833D+00  0.768578D+00 -0.114225D+00
      2  -0.105218D+00  0.895804D+01  0.863834D+00 -0.114225D+00  0.238304D+01
      3  -0.275833D+00  0.863834D+00  0.178154D+01 -0.144536D+00  0.971328D+00
               171           172           173           174           175 
      1  -0.144536D+00  0.425741D+01  0.104428D+01  0.176270D+01  0.228572D+01
      2   0.971328D+00  0.104428D+01  0.247614D+01 -0.127145D+01  0.237024D+01
      3   0.318299D+00  0.176270D+01 -0.127145D+01  0.244444D+01 -0.668661D+00
               176           177           178           179           180 
      1   0.237024D+01 -0.668661D+00  0.139532D+01 -0.812988D+00  0.414011D+01
      2   0.195233D+01  0.519173D-01 -0.812988D+00 -0.814044D+00 -0.110114D+01
      3   0.519173D-01  0.168361D+01  0.414011D+01 -0.110114D+01  0.409748D+01
               181           182           183           184           185 
      1   0.485153D+01  0.280569D+01 -0.135069D+01  0.460740D+01  0.292103D+01
      2   0.280569D+01  0.240191D+01 -0.488452D+00  0.292103D+01  0.426359D+01
      3  -0.135069D+01 -0.488452D+00  0.130599D+01 -0.753907D+00 -0.167704D+01
               186           187           188           189           190 
      1  -0.753907D+00 -0.169839D+01 -0.447128D+00  0.157682D+01  0.213874D+01
      2  -0.167704D+01 -0.447128D+00 -0.137825D+01  0.890321D+00 -0.159411D+01
      3   0.142677D+01  0.157682D+01  0.890321D+00 -0.910959D+00 -0.178553D+01
               191           192           193           194           195 
      1  -0.159411D+01 -0.178553D+01 -0.314352D+01  0.359024D+01  0.159993D+01
      2   0.175893D+01  0.788668D+00  0.359024D+01 -0.610342D+01 -0.337100D+01
      3   0.788668D+00  0.120148D+01  0.159993D+01 -0.337100D+01 -0.372857D+01
               196           197           198           199           200 
      1  -0.261215D+01  0.154490D+01  0.219538D+01  0.937540D-02 -0.678479D+00
      2   0.154490D+01 -0.307847D+01 -0.296651D+01 -0.678479D+00  0.202235D+01
      3   0.219538D+01 -0.296651D+01 -0.404755D+01 -0.295139D+00  0.522788D+00
               201           202           203           204           205 
      1  -0.295139D+00 -0.153458D+01 -0.147271D+00  0.166783D+00 -0.784504D+00
      2   0.522788D+00 -0.147271D+00 -0.104141D+02 -0.201355D+01  0.706599D-02
      3   0.368567D+00  0.166783D+00 -0.201355D+01 -0.212278D+01  0.986569D-01
               206           207           208           209           210 
      1   0.706599D-02  0.986569D-01 -0.272518D+01 -0.110392D+01  0.186188D+00
      2  -0.480646D+01 -0.195598D+01 -0.110392D+01 -0.203060D+01  0.105206D+01
      3  -0.195598D+01 -0.109750D+01  0.186188D+00  0.105206D+01 -0.178444D+01
               211           212           213           214           215 
      1  -0.261739D+01 -0.104008D+01  0.334513D+00  0.994353D+00  0.386472D+00
      2  -0.104008D+01 -0.346414D+01  0.175592D+01  0.386472D+00  0.182186D+01
      3   0.334513D+00  0.175592D+01 -0.254995D+01 -0.427171D+00 -0.103564D+01
               216 
      1  -0.427171D+00
      2  -0.103564D+01
      3   0.234158D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.991426D-01  0.221964D+00 -0.294317D+01 -0.984654D+00  0.635805D+00
      2  -0.250543D+00 -0.356376D+00 -0.347281D+00  0.671534D+00  0.202620D+01
      3  -0.226158D+01 -0.355727D+00 -0.596344D-01  0.474667D+01  0.162331D+01
                 6             7             8             9            10 
      1   0.195981D+01 -0.174538D+01  0.474358D+01 -0.862730D+01 -0.522327D+00
      2   0.156790D+01 -0.403619D+01  0.854386D+00 -0.632296D+01 -0.169800D+01
      3  -0.587578D+00  0.200307D+00 -0.214509D+01  0.413371D+00 -0.243893D+01
                11            12            13            14            15 
      1  -0.162837D+01 -0.899043D+00  0.492460D+00  0.276977D+00 -0.200004D+01
      2  -0.105517D+01  0.283106D+01 -0.306999D+00 -0.170022D+01 -0.346625D+01
      3  -0.553341D+01  0.167752D-01  0.948517D-01  0.302447D+00  0.184088D+01
                16            17            18            19            20 
      1  -0.117331D+01  0.384559D+01 -0.166178D+01  0.300111D+00 -0.327748D+00
      2  -0.678392D+00 -0.201319D+01  0.132062D+02 -0.271532D+00  0.109544D+01
      3  -0.603450D+00  0.266816D+01  0.257324D+01  0.279850D+01 -0.803494D+00
                21            22            23            24            25 
      1   0.330564D+01 -0.108672D+00 -0.201449D+01 -0.197145D+01  0.307748D+01
      2   0.722057D+00 -0.157695D+01  0.908329D+00 -0.796265D+00 -0.438126D+01
      3  -0.548518D+00  0.463038D+01 -0.530766D+01 -0.272200D+01  0.205590D+00
                26            27            28            29            30 
      1   0.158656D+01  0.749191D+01 -0.232819D+01 -0.898027D+00  0.153311D+01
      2   0.491950D+00 -0.392022D+01 -0.716445D+01  0.374905D+01 -0.826191D+00
      3  -0.113352D+01 -0.314776D+01 -0.794841D+01 -0.969164D+01 -0.614311D+00
                31            32            33            34            35 
      1  -0.928084D+00  0.288935D+00  0.256123D+01  0.262299D+00  0.435445D+01
      2   0.259734D+01 -0.122436D+01 -0.457244D+01 -0.501023D+01  0.340362D-01
      3  -0.714579D+01  0.135394D+01  0.374336D+01  0.410901D+00  0.339994D+01
                36            37            38            39            40 
      1  -0.516775D+00  0.150955D+01  0.198996D-01 -0.236268D+01  0.149634D+01
      2   0.138117D+02  0.404433D+01 -0.783965D+00  0.112217D+02 -0.225691D+01
      3   0.233173D+01 -0.815707D+01 -0.529431D+01  0.212059D+00  0.169295D+02
                41            42            43            44            45 
      1   0.275691D+01 -0.692844D+01  0.199897D+01  0.286693D+01  0.828213D+00
      2  -0.133411D+01  0.196668D+01 -0.587707D+01 -0.139469D+01 -0.693669D-01
      3   0.577815D+01 -0.347914D+00 -0.311727D+01 -0.156491D+01 -0.267415D+00
                46            47            48            49            50 
      1   0.901892D+00 -0.693226D+00  0.287151D+01 -0.992931D+00 -0.294212D+01
      2  -0.340409D+01 -0.147061D+01 -0.743805D+01 -0.188283D+00  0.293370D+01
      3   0.666208D+01  0.529616D+01 -0.250840D+00  0.202858D+01 -0.105140D+01
                51            52            53            54            55 
      1  -0.432128D+00  0.810937D+00  0.105714D+01  0.100710D+02 -0.126671D+01
      2   0.182001D+01 -0.658249D+01 -0.703622D+00 -0.110050D+02 -0.641750D+01
      3  -0.232005D+01  0.798156D+00 -0.161486D+01 -0.398759D+01  0.189060D+02
                56            57            58            59            60 
      1   0.313159D+00 -0.573042D+00  0.186817D+01 -0.245079D+01 -0.730420D+01
      2   0.256667D+01  0.225805D+01  0.580281D+00 -0.281105D+01 -0.166752D+01
      3  -0.329431D+01  0.662605D-02  0.632537D+01  0.724522D+01  0.105573D+01
                61            62            63            64            65 
      1   0.822195D+00  0.945683D+00 -0.339492D+01  0.138758D+01  0.399676D+00
      2  -0.410219D+01 -0.185855D+01 -0.167929D+01  0.101677D+01 -0.436133D+00
      3   0.347469D+01  0.311819D+01  0.108698D+01 -0.217651D+00 -0.189567D+01
                66            67            68            69            70 
      1   0.940501D+00  0.575103D-01  0.148725D+01 -0.153867D+01  0.107331D+01
      2   0.205588D+01  0.192336D-01  0.536436D+00 -0.347956D+00 -0.344053D+01
      3  -0.123613D+01  0.893138D+00 -0.240588D+00 -0.868537D+00 -0.295310D+01
                71            72            73            74            75 
      1   0.351871D+01  0.104092D+02  0.652984D+00 -0.969934D-01  0.748924D+00
      2  -0.621629D+00  0.740980D+01  0.452448D+01  0.267566D+01  0.522398D+01
      3  -0.185970D+01 -0.168565D+00  0.108341D+02 -0.281699D+01 -0.268442D+01
                76            77            78            79            80 
      1  -0.144889D+01  0.109244D+01 -0.237381D+01  0.947756D+00  0.334156D+01
      2   0.240987D+01  0.337446D+01 -0.375479D+01 -0.216462D+01 -0.176323D+01
      3   0.838304D+01  0.179374D+02 -0.319127D+01 -0.245249D+01 -0.629617D+01
                81            82            83            84            85 
      1  -0.421334D-01  0.285010D+00  0.937527D+00  0.288078D+00  0.493457D+00
      2   0.239770D+01 -0.311927D+01  0.142806D+00 -0.135009D+01  0.659649D+00
      3   0.139888D+01  0.634049D-01 -0.105548D+00 -0.268232D+00  0.199264D+01
                86            87            88            89            90 
      1  -0.344475D+00 -0.157792D+01  0.212633D+00  0.404765D+01  0.120076D+01
      2  -0.181157D+01  0.163593D+01 -0.533105D+01  0.110106D+01 -0.137823D+02
      3  -0.757938D+00  0.158803D+01 -0.490059D+00  0.248040D+01 -0.748594D+00
                91            92            93            94            95 
      1  -0.204783D+01  0.895787D+00 -0.127706D+01  0.455410D+00 -0.152276D+01
      2   0.198272D+00  0.554687D+00  0.846569D+00  0.988068D+00  0.118576D+00
      3   0.125535D+01 -0.226794D+01  0.147099D+01  0.226983D+00  0.101520D+01
                96            97            98            99           100 
      1  -0.209139D+00 -0.213760D+01  0.434284D+01 -0.896696D+01  0.225078D+01
      2   0.135069D+00 -0.392302D+01  0.315651D+00  0.487919D+01 -0.172392D+00
      3  -0.695060D+00  0.275760D+01 -0.209619D+01  0.150370D+01  0.884363D+01
               101           102           103           104           105 
      1  -0.237013D+01 -0.410486D+01 -0.100373D+01  0.795108D+01 -0.186334D+01
      2  -0.289022D+00  0.530915D+01  0.138904D+01 -0.140093D+01  0.139964D+01
      3  -0.107192D+02 -0.253186D+01  0.127764D+00  0.107018D+02  0.356071D+01
               106           107           108           109           110 
      1  -0.294146D+01  0.543101D+01  0.390360D+01  0.359528D+01  0.141988D+01
      2  -0.186037D+01  0.908046D+00 -0.181880D+01  0.102844D+02 -0.377673D+01
      3  -0.538917D+01  0.562239D+01  0.216185D+01  0.786124D+01  0.945546D+01
               111           112           113           114           115 
      1  -0.121122D+01  0.191270D+01  0.228034D+01 -0.394191D+01 -0.157103D+01
      2   0.790350D+00 -0.432752D+01  0.100749D+02  0.733036D+01 -0.928598D+01
      3  -0.335645D+00  0.204858D+02 -0.979676D-01 -0.116032D+02  0.730930D+00
               116           117           118           119           120 
      1  -0.326704D+01 -0.290046D+01 -0.476135D-01  0.116979D+01  0.364287D+00
      2   0.778736D+01 -0.498696D+01 -0.272460D+01 -0.318018D+00 -0.437142D+00
      3  -0.112816D+02 -0.640790D+01  0.282986D+00  0.123786D+00  0.320206D+00
               121           122           123           124           125 
      1   0.228898D+00 -0.156334D+01 -0.811255D-01  0.325725D+00  0.515232D+01
      2  -0.748779D-01 -0.235151D+01  0.108117D+01 -0.587362D+01  0.528006D+00
      3   0.255074D+01 -0.182251D+01  0.188305D+01  0.637654D+00  0.270249D+01
               126           127           128           129           130 
      1  -0.136741D+01  0.171835D+01 -0.652177D+00 -0.344892D+01  0.760349D+00
      2  -0.142655D+02 -0.261838D+01 -0.863920D-01  0.529047D+01  0.673356D+00
      3  -0.206245D+01  0.578206D+01 -0.802797D+01 -0.276355D+01  0.442554D+01
               131           132           133           134           135 
      1   0.117657D+02 -0.247086D+01 -0.202776D+01  0.628232D+01  0.592274D+01
      2  -0.477955D+01  0.272807D+00 -0.813904D+00  0.269380D+00 -0.279923D+01
      3   0.935931D+01  0.501372D+01 -0.610672D+01  0.942373D+01  0.326639D+01
               136           137           138           139           140 
      1  -0.215204D+01  0.119450D+00 -0.117103D+01  0.659796D+00 -0.183066D+01
      2   0.132470D+01  0.597771D+00  0.183479D+01  0.772129D+00  0.800652D+00
      3   0.109857D+01 -0.205790D+01  0.200282D+01  0.352341D-01  0.176091D+01
               141           142           143           144           145 
      1   0.541755D+00 -0.116898D+01  0.538733D+01 -0.104273D+02 -0.133552D+00
      2  -0.124810D+01 -0.368279D+01 -0.150418D+00  0.107271D+02  0.525680D+01
      3  -0.120622D+01  0.360634D+01 -0.198265D+01  0.290407D+01 -0.208353D+02
               146           147           148           149           150 
      1  -0.337662D+00  0.356348D+01  0.749605D-02  0.171771D+00 -0.113250D+01
      2  -0.102839D+01  0.313689D+01 -0.806762D+00  0.647070D+00 -0.103460D+01
      3  -0.297377D+00  0.666312D+00  0.198918D+01 -0.224185D+01 -0.650268D+00
               151           152           153           154           155 
      1   0.124163D+01 -0.156014D+00 -0.805822D+00  0.157668D-01  0.103610D+00
      2   0.486819D+00 -0.653698D+00 -0.348682D+00 -0.227039D+01 -0.184528D+01
      3  -0.940533D+00 -0.508747D+00 -0.671211D+00 -0.809075D+01 -0.917520D+01
               156           157           158           159           160 
      1  -0.786585D+00  0.410653D+00 -0.869244D+00 -0.917333D+00 -0.278238D+00
      2   0.442227D+01 -0.262843D+01 -0.286262D+01  0.425981D+01  0.222557D+01
      3   0.195559D+01 -0.811037D+01 -0.155358D+02  0.279346D+01  0.327533D+01
               161           162           163           164           165 
      1   0.683434D+00  0.383575D+00 -0.173259D+01  0.240201D+01  0.166907D+01
      2   0.191888D+01 -0.160251D+01  0.259112D+00 -0.139556D+00 -0.571631D+00
      3   0.462788D+01 -0.176522D+01 -0.553085D+01  0.558140D+01  0.204354D+01
               166           167           168           169           170 
      1   0.135859D+01 -0.755341D+01 -0.589301D+01  0.808480D+00 -0.319031D+01
      2  -0.446097D-01  0.803469D+00  0.151502D+01 -0.106413D+01  0.998560D+00
      3   0.721907D+01 -0.151413D+02 -0.257331D+01  0.328476D+01 -0.447281D+01
               171           172           173           174           175 
      1  -0.172266D+01  0.290390D+01  0.314209D+01  0.191373D+01  0.148593D+01
      2   0.458310D+00 -0.590398D+00 -0.645223D+01  0.131411D+02 -0.509158D+01
      3  -0.200592D+01 -0.900907D+01 -0.117846D+02  0.296784D+01 -0.716718D+01
               176           177           178           179           180 
      1   0.389302D+01 -0.403599D+01  0.581483D+00  0.563288D+01  0.562063D+01
      2  -0.245340D+01  0.456336D+01  0.470674D+01 -0.517369D+00  0.143176D+02
      3  -0.669445D+01  0.381113D+00  0.173779D+01  0.127691D+01 -0.928446D-01
               181           182           183           184           185 
      1  -0.237636D+01 -0.191237D+01 -0.399689D+00 -0.210832D+01 -0.372544D+01
      2  -0.937841D+00  0.347127D-01  0.449375D+01  0.113466D+01 -0.325317D+01
      3  -0.922847D+01 -0.973132D+01  0.211524D+01 -0.831120D+01 -0.161719D+02
               186           187           188           189           190 
      1   0.483168D-01  0.427266D+00  0.258279D+01 -0.724368D+00  0.660198D-01
      2   0.487243D+01  0.209588D+01  0.233843D+01 -0.149639D+01 -0.341151D+01
      3   0.522111D+01  0.166290D+01  0.452325D+01 -0.319935D+01  0.246834D+01
               191           192           193           194           195 
      1  -0.117650D+01  0.994551D+00 -0.139537D+01  0.327482D+01 -0.270266D+01
      2   0.145695D+01  0.321386D+01  0.109787D+01 -0.687784D+01 -0.105634D+02
      3  -0.533530D+01 -0.120466D+01 -0.485101D+01  0.150477D+02  0.797567D+01
               196           197           198           199           200 
      1   0.498575D+00  0.170387D+01 -0.173412D+01 -0.366058D+00  0.204882D+01
      2   0.219707D+01 -0.716154D+01 -0.102498D+02  0.875473D+00 -0.521075D+00
      3  -0.154318D+01  0.768314D+01  0.674950D+01 -0.236451D+01  0.422196D+01
               201           202           203           204           205 
      1   0.169157D+01  0.574462D+00 -0.748006D+01 -0.678837D+01  0.422383D+00
      2  -0.308140D+00 -0.743999D+00  0.282959D+01  0.271348D+01 -0.982614D+00
      3   0.167577D+01  0.516519D+01 -0.164383D+02 -0.404552D+01  0.270014D+01
               206           207           208           209           210 
      1  -0.567437D+01 -0.364207D+01 -0.251480D+01 -0.310045D+01 -0.707147D+00
      2   0.261709D+01  0.140976D+01  0.647227D+01  0.546994D+01 -0.593416D+01
      3  -0.767545D+01 -0.356373D+01  0.844702D+01  0.721793D+01 -0.274104D+01
               211           212           213           214           215 
      1  -0.249727D+01 -0.336299D+01 -0.527513D+00  0.312000D+00  0.207238D+01
      2   0.505389D+01  0.780693D+01 -0.768237D+01 -0.330641D+01 -0.410378D+01
      3   0.802061D+01  0.101551D+02 -0.503885D+01 -0.188711D+01 -0.489475D+01
               216 
      1   0.487494D+00
      2   0.652253D+01
      3   0.369885D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.679680D+01 -0.785016D+01 -0.763404D+00 -0.417880D+01  0.821825D+01
      2  -0.270821D+01  0.121485D+02 -0.246204D-01  0.762450D+01 -0.181494D+02
      3  -0.408859D+01 -0.429835D+01  0.788025D+00 -0.344570D+01  0.993119D+01
      4  -0.148045D+01 -0.714870D+01  0.313312D-02 -0.121928D+02  0.107199D+02
      5   0.168685D+01 -0.205291D+01 -0.485223D+01 -0.473871D+01  0.142519D+01
      6   0.176454D+01  0.274521D+01  0.747538D+01  0.307085D+01 -0.871185D+01
                 6             7             8             9            10 
      1   0.429948D+01  0.181108D+01  0.495599D+01  0.838850D+01 -0.339899D+02
      2  -0.143074D+01  0.317797D+01 -0.135305D+02  0.524016D+01  0.189495D+02
      3  -0.286874D+01 -0.498905D+01  0.857452D+01 -0.136287D+02  0.150404D+02
      4   0.243299D+01 -0.268861D+01  0.705260D+01  0.728428D+01  0.479627D+01
      5   0.446796D+01 -0.453479D+01  0.441383D+01 -0.200204D+02 -0.141059D+01
      6  -0.107799D+02  0.593628D+01 -0.708086D+01  0.246557D+02 -0.473735D+00
                11            12            13            14            15 
      1  -0.126885D+01  0.347032D+01  0.301629D+01  0.973067D+01 -0.561299D+00
      2   0.368262D+01  0.223489D+01 -0.179439D+01 -0.300701D+01 -0.128569D+01
      3  -0.241377D+01 -0.570521D+01 -0.122190D+01 -0.672366D+01  0.184699D+01
      4  -0.137512D+01 -0.221501D+00  0.873605D+01  0.448141D+00 -0.252180D+01
      5  -0.444059D+00 -0.169711D+01  0.128807D+01 -0.149606D+01 -0.649608D+01
      6  -0.125259D+00  0.246916D+01 -0.128886D+01  0.256969D+00 -0.141992D+00
                16            17            18            19            20 
      1  -0.509216D+01  0.176716D+01  0.175190D+02 -0.344234D+01  0.619269D+01
      2   0.350937D+01 -0.512983D+01  0.456868D+01  0.102911D+01 -0.120570D+02
      3   0.158279D+01  0.336267D+01 -0.220877D+02  0.241323D+01  0.586434D+01
      4   0.281555D+01 -0.352084D+01 -0.360748D+01 -0.278408D+01 -0.100839D+02
      5   0.637632D+01 -0.389430D+01  0.277247D+02  0.131661D+01  0.360332D+01
      6   0.842939D+00 -0.407956D+00  0.661778D+01 -0.563806D+00  0.430437D+01
                21            22            23            24            25 
      1  -0.215142D+01  0.145616D+01 -0.232397D+01 -0.478586D+01  0.251610D+01
      2   0.495301D+00 -0.778174D+01 -0.220039D+01  0.268977D+01  0.418623D+01
      3   0.165612D+01  0.632558D+01  0.452436D+01  0.209609D+01 -0.670233D+01
      4   0.122570D+01 -0.157882D+02 -0.822202D+01  0.176877D+01  0.491049D+01
      5  -0.597483D+01  0.261986D+01  0.395815D+01 -0.948844D+00 -0.381530D+01
      6  -0.789784D+01  0.316245D+01  0.619532D+01 -0.406971D+01 -0.474675D+01
                26            27            28            29            30 
      1  -0.142972D+01  0.439906D+00 -0.183183D+02  0.941502D+01 -0.161094D+01
      2   0.635642D+01  0.911729D+01  0.885523D+01 -0.106098D+02  0.116866D+01
      3  -0.492670D+01 -0.955719D+01  0.946308D+01  0.119479D+01  0.442275D+00
      4   0.744067D+01 -0.198225D+01 -0.218392D+01 -0.230929D+01 -0.421185D+00
      5   0.652609D+00 -0.134748D+02 -0.210611D+01 -0.112177D+01 -0.318830D+01
      6   0.331152D+00 -0.193417D+02 -0.117146D-01 -0.247983D+01 -0.195894D+01
                31            32            33            34            35 
      1   0.391013D+01  0.154363D+02 -0.394619D+01 -0.590853D+01 -0.106394D+01
      2  -0.270453D+01 -0.155342D+02 -0.474916D+01  0.216650D+01 -0.101195D+01
      3  -0.120560D+01  0.979341D-01  0.869535D+01  0.374203D+01  0.207589D+01
      4  -0.487157D+01 -0.956370D+01 -0.567254D+01  0.458909D+01 -0.278493D+01
      5   0.215023D+01 -0.832375D+01 -0.103425D+02 -0.785518D-01 -0.325805D+01
      6  -0.461514D+01  0.384234D+01 -0.358740D+01 -0.174686D+01  0.794690D+00
                36            37            38            39            40 
      1   0.210929D+02  0.175557D+02 -0.231016D+01  0.222404D+01 -0.784151D+00
      2   0.162020D+02 -0.107908D+02  0.195885D+01 -0.171338D+01  0.164353D+01
      3  -0.372949D+02 -0.676498D+01  0.351308D+00 -0.510656D+00 -0.859383D+00
      4  -0.367834D+01 -0.870245D+01  0.185978D+02  0.139303D+00  0.172012D+02
      5   0.248427D+02  0.259759D+01  0.481252D+00  0.221042D+02 -0.188515D+01
      6   0.125767D+01  0.175838D+01  0.267700D+00  0.657811D+01  0.122674D+01
                41            42            43            44            45 
      1  -0.167113D+02  0.354259D+01  0.401723D+01  0.257277D+01 -0.714822D+01
      2   0.240746D+02  0.193809D+01 -0.458515D+01 -0.352129D+01 -0.482949D+01
      3  -0.736330D+01 -0.548068D+01  0.567924D+00  0.948518D+00  0.119777D+02
      4  -0.279370D+00  0.726868D+00 -0.625341D+01 -0.765190D+00 -0.209941D+01
      5   0.180904D+01  0.355734D+01  0.698584D+01 -0.166048D+01  0.108921D+01
      6  -0.373279D+00  0.947613D+01 -0.140750D+01  0.702353D+01  0.243820D+00
                46            47            48            49            50 
      1  -0.156443D+02  0.455538D+01  0.259463D+01 -0.449857D+01 -0.189705D+01
      2   0.130657D+02 -0.657810D+01  0.133695D+01 -0.439180D+01 -0.678635D+01
      3   0.257860D+01  0.202272D+01 -0.393158D+01  0.889037D+01  0.868340D+01
      4   0.548950D+01 -0.191187D+02 -0.229718D+01 -0.204410D+02 -0.111154D+02
      5   0.891407D+00 -0.194430D+00 -0.212583D+02  0.232784D+01  0.180891D+01
      6  -0.114628D+01  0.165766D+01 -0.102679D+02  0.304987D+00  0.582205D+01
                51            52            53            54            55 
      1  -0.489857D+01  0.514734D+01 -0.456371D+01  0.689550D+01 -0.163012D+02
      2  -0.131163D+01  0.356972D+01  0.736654D+01  0.199230D+02  0.688830D+01
      3   0.621020D+01 -0.871706D+01 -0.280283D+01 -0.268185D+02  0.941285D+01
      4   0.249819D+01  0.216324D+01  0.552469D+01 -0.973663D+00  0.253464D+02
      5   0.263188D+01 -0.901107D+01  0.679200D+00 -0.255310D+02  0.110987D+01
      6  -0.520265D+01 -0.478218D+01  0.749474D+00 -0.232102D+02  0.286431D+01
                56            57            58            59            60 
      1   0.360709D+01 -0.672320D+00  0.370807D+01 -0.293816D+02 -0.854274D+01
      2  -0.195604D+01  0.240711D+01 -0.730103D+01  0.489737D+02  0.598253D+01
      3  -0.165104D+01 -0.173479D+01  0.359297D+01 -0.195921D+02  0.256021D+01
      4   0.291244D+01  0.123421D+01  0.135250D+02 -0.238144D+02 -0.550209D+01
      5  -0.510600D+00  0.545079D+01  0.271278D+01 -0.395431D+01 -0.213030D+01
      6  -0.521188D+00  0.172312D+00 -0.280376D+01  0.143821D+02  0.153003D+02
                61            62            63            64            65 
      1  -0.175401D+01 -0.107845D+02 -0.116776D+02  0.127145D+01  0.105050D+01
      2  -0.111235D+01  0.153357D+02  0.219490D+01 -0.368274D+01 -0.187582D+01
      3   0.286636D+01 -0.455120D+01  0.948274D+01  0.241129D+01  0.825325D+00
      4   0.790905D+01 -0.104284D+02 -0.670760D+01 -0.171207D+01  0.419989D+01
      5   0.786339D+01 -0.610016D+01 -0.387540D+01  0.481654D+01 -0.126893D+01
      6  -0.430628D+01  0.188469D+02  0.865847D+01 -0.410256D+01  0.497683D+00
                66            67            68            69            70 
      1   0.194077D+01  0.108954D+01 -0.421276D+01  0.339404D+01  0.172741D+01
      2  -0.297463D+01 -0.178468D+01  0.335369D+01 -0.306927D+01 -0.314834D+01
      3   0.103386D+01  0.695143D+00  0.859062D+00 -0.324763D+00  0.142093D+01
      4  -0.365538D+01  0.389427D+01 -0.313231D+01  0.297001D+01 -0.559214D+01
      5   0.968613D+01 -0.260927D+00  0.282760D+01 -0.185734D+01  0.777845D+01
      6  -0.281423D+01  0.105086D+01 -0.444873D+01  0.896596D+01 -0.415230D+01
                71            72            73            74            75 
      1   0.497080D+01 -0.144828D+02  0.560742D+02 -0.163275D+02  0.223696D+01
      2  -0.432089D+01 -0.134036D+02 -0.339052D+02  0.780179D+01 -0.253341D+01
      3  -0.649903D+00  0.278863D+02 -0.221690D+02  0.852573D+01  0.296456D+00
      4   0.488295D+01 -0.474782D+01 -0.197331D+02  0.412292D+01  0.388011D+01
      5  -0.301764D+01  0.211049D+02  0.579979D+01  0.491877D+01  0.111819D+02
      6   0.843212D+01 -0.270243D+02  0.770653D+00  0.619926D+00 -0.188971D+01
                76            77            78            79            80 
      1  -0.337309D+02 -0.987428D+01  0.442984D+01  0.181832D+02  0.434242D+01
      2   0.182869D+02  0.912722D+01 -0.238661D+01 -0.995852D+01 -0.194434D+01
      3   0.154440D+02  0.747054D+00 -0.204323D+01 -0.822466D+01 -0.239808D+01
      4  -0.197466D+01 -0.242025D+02  0.714729D+01  0.418026D+01  0.925849D+01
      5   0.587044D+01  0.816565D+01 -0.578107D+01  0.129322D+02 -0.354316D+01
      6   0.207110D+01  0.219947D+01  0.550165D+01 -0.101308D+01  0.393105D+01
                81            82            83            84            85 
      1   0.148915D+01  0.519859D+00  0.330412D+00 -0.651557D+01  0.801143D+00
      2  -0.788737D+01 -0.377432D+01 -0.102958D+00  0.825283D+00 -0.388827D+00
      3   0.639821D+01  0.325446D+01 -0.227454D+00  0.569028D+01 -0.412316D+00
      4  -0.330056D+01 -0.307766D+00  0.292518D+00 -0.252113D+00  0.157445D+00
      5   0.351045D+01 -0.218114D+01 -0.345680D+00  0.349683D+01 -0.234579D+00
      6   0.682814D+00 -0.885888D+00  0.577286D+00 -0.747993D+00  0.336408D+00
                86            87            88            89            90 
      1  -0.576230D+01  0.238053D+01 -0.923171D+01  0.199236D+01 -0.210000D+02
      2   0.113302D+01  0.144787D+00  0.379083D+01  0.759061D+00 -0.160794D+02
      3   0.462928D+01 -0.252532D+01  0.544088D+01 -0.275142D+01  0.370794D+02
      4   0.164832D+01 -0.255528D+01 -0.101367D+01 -0.454966D+01  0.207394D+01
      5  -0.292407D+01  0.276241D+01  0.447042D+01  0.265461D+01 -0.254160D+02
      6  -0.196095D+01  0.846327D+01 -0.281882D+00  0.526196D+01 -0.591825D+01
                91            92            93            94            95 
      1   0.254524D+01 -0.244343D+01  0.202079D+01 -0.199608D+01 -0.576679D+00
      2  -0.406463D+01  0.326626D+01 -0.189972D+01  0.249621D+01 -0.126396D+01
      3   0.151939D+01 -0.822832D+00 -0.121071D+00 -0.500134D+00  0.184064D+01
      4   0.494827D+00  0.370164D+01  0.144444D+01  0.415258D+01  0.624154D+00
      5   0.410334D+01 -0.808379D+00  0.719535D+01 -0.365417D+00  0.245818D+01
      6   0.234779D+01 -0.222974D-01  0.234050D+01  0.536300D+00  0.145043D+01
                96            97            98            99           100 
      1  -0.158466D+01  0.217100D+01 -0.346666D+01 -0.108838D+02  0.146653D+02
      2   0.236645D+01 -0.413550D+01  0.574607D+01 -0.153226D+02 -0.331250D+01
      3  -0.781799D+00  0.196450D+01 -0.227941D+01  0.262064D+02 -0.113528D+02
      4   0.283881D+01  0.316614D+01  0.398951D+01  0.138336D+01  0.224507D+02
      5   0.854585D-01  0.726430D+01 -0.420429D+00  0.163523D+02 -0.483643D+01
      6   0.507391D+01  0.286148D+01  0.392749D+01  0.181222D+02 -0.640844D+01
               101           102           103           104           105 
      1  -0.986269D+01 -0.867120D+00 -0.320244D+01  0.889815D+01  0.827782D+01
      2   0.232021D+02  0.329838D+01  0.131946D+02 -0.824465D+01 -0.976651D+01
      3  -0.133394D+02 -0.243126D+01 -0.999218D+01 -0.653494D+00  0.148869D+01
      4   0.257707D+02 -0.441386D+01  0.230008D+02  0.146937D+02 -0.452719D+01
      5  -0.120076D+01  0.111592D+02 -0.145946D+01 -0.817627D+01  0.164158D+01
      6  -0.306410D+01  0.711610D+01 -0.254460D+01 -0.128835D+02  0.912837D+01
               106           107           108           109           110 
      1  -0.304712D+01  0.127530D+02 -0.358540D+01  0.980632D+01 -0.174133D+02
      2   0.869692D+00 -0.201389D+02 -0.412386D+01 -0.747073D+01  0.131672D+02
      3   0.217743D+01  0.738586D+01  0.770926D+01 -0.233560D+01  0.424609D+01
      4  -0.919629D+01 -0.116300D+02  0.714260D+01 -0.142024D+02 -0.182684D+02
      5   0.105346D+02  0.379131D+01 -0.413810D+01  0.975467D+01  0.149537D+00
      6   0.867676D+01  0.116865D+02 -0.884657D+01 -0.193756D+01  0.640021D+01
               111           112           113           114           115 
      1   0.951627D+01 -0.181392D+02 -0.235253D+02  0.358857D+01  0.965065D+01
      2  -0.199824D+01  0.132549D+02  0.772518D+01 -0.804600D+01 -0.339276D+01
      3  -0.751803D+01  0.488429D+01  0.158001D+02  0.445743D+01 -0.625788D+01
      4  -0.210672D+01 -0.302194D+02  0.878690D+01  0.263770D+02 -0.126966D+01
      5  -0.996442D+01  0.180503D+00  0.303004D+02  0.172165D+02 -0.354889D+02
      6   0.376378D+01  0.103877D+02 -0.101149D+02 -0.115499D+02  0.102284D+02
               116           117           118           119           120 
      1   0.419765D+01 -0.137644D+02  0.179723D+01 -0.310626D+00 -0.516405D+01
      2  -0.342098D+01  0.806552D+01 -0.508034D+01  0.259680D+00  0.137328D+01
      3  -0.776671D+00  0.569884D+01  0.328311D+01  0.509461D-01  0.379077D+01
      4   0.211865D+02  0.207136D+02 -0.285437D+00  0.163903D+01  0.112001D+01
      5   0.199959D+02 -0.390682D+01 -0.379221D+01 -0.731618D-01  0.652197D+01
      6  -0.210041D+02 -0.476400D+01  0.503493D+00  0.927685D+00 -0.255559D+00
               121           122           123           124           125 
      1   0.165750D+00 -0.614338D+01  0.880784D+00 -0.510891D+01  0.158111D+01
      2  -0.608200D+00  0.109188D+01  0.196718D+01  0.596807D+01  0.115758D+01
      3   0.442450D+00  0.505150D+01 -0.284797D+01 -0.859160D+00 -0.273869D+01
      4   0.162819D+01  0.202094D+01 -0.215879D+01  0.112354D+01 -0.303122D+01
      5  -0.736090D+00 -0.293953D+01  0.294220D+01  0.845961D+01  0.175031D+01
      6   0.311078D+00 -0.555200D+00  0.837680D+01  0.750398D+00  0.627811D+01
               126           127           128           129           130 
      1  -0.254019D+02  0.136616D+02 -0.693112D+01 -0.336312D+01  0.329980D+00
      2  -0.226167D+02 -0.291107D+00  0.201183D+02  0.462464D+01  0.105368D+02
      3   0.480186D+02 -0.133705D+02 -0.131872D+02 -0.126153D+01 -0.108668D+02
      4   0.189694D+01  0.195547D+02  0.266146D+02 -0.337832D+01  0.240000D+02
      5  -0.253870D+02 -0.245847D+01  0.962289D+00  0.981207D+01 -0.684536D+00
      6   0.219221D+01 -0.396294D+01  0.199804D+01  0.680942D+01  0.623675D+00
               131           132           133           134           135 
      1   0.119841D+02  0.121880D+02 -0.613589D+01  0.189259D+02 -0.253276D+00
      2  -0.969758D+01 -0.151059D+02  0.140688D+01 -0.324946D+02 -0.808068D+01
      3  -0.228648D+01  0.291790D+01  0.472901D+01  0.135687D+02  0.833395D+01
      4   0.136495D+02 -0.586032D+01 -0.100713D+02 -0.167112D+02  0.460241D+01
      5  -0.758030D+01  0.208243D+00  0.943655D+01  0.747621D+00 -0.420583D+01
      6  -0.214702D+02  0.592996D+01  0.688940D+01  0.506504D+01 -0.107844D+02
               136           137           138           139           140 
      1   0.228183D+01 -0.503326D+00  0.214686D+01 -0.131556D+01 -0.246041D+01
      2  -0.574353D+01  0.661059D+00 -0.312074D+01  0.238812D+01 -0.590934D+00
      3   0.346170D+01 -0.157732D+00  0.973884D+00 -0.107256D+01  0.305134D+01
      4   0.159251D+01  0.418236D+01  0.380438D+01  0.399525D+01  0.436110D+00
      5   0.633842D+01  0.803746D+00  0.115882D+02 -0.768647D+00  0.318712D+01
      6   0.401380D+01  0.104398D+01  0.327135D+01  0.851004D+00  0.211457D+01
               141           142           143           144           145 
      1  -0.118771D+01  0.895604D+00 -0.265075D+01 -0.168896D+02  0.261590D+02
      2   0.433166D+01 -0.505785D+01  0.435617D+01 -0.222565D+02 -0.504186D+01
      3  -0.314395D+01  0.416225D+01 -0.170542D+01  0.391462D+02 -0.211171D+02
      4   0.253791D+01  0.631759D+01  0.618993D+01  0.257511D+01 -0.409115D+02
      5  -0.280554D+01  0.118646D+02  0.178196D+01  0.260582D+02 -0.676725D+01
      6   0.558463D+01  0.486507D+01  0.671751D+01  0.236381D+02  0.194954D+01
               146           147           148           149           150 
      1  -0.184675D+01  0.144346D+00 -0.278368D+01  0.166475D+01  0.884012D-01
      2  -0.956814D+01 -0.125604D+00 -0.261557D+01  0.378913D+01 -0.510105D+00
      3   0.114149D+02 -0.187419D-01  0.539925D+01 -0.545388D+01  0.421704D+00
      4   0.217079D+02  0.352177D+01  0.116240D+02 -0.718859D+01 -0.796060D+00
      5   0.308555D+01  0.510093D+01  0.153482D+01 -0.563811D+00 -0.239739D+01
      6  -0.317085D+01 -0.638355D+01 -0.135224D+01  0.735400D+00  0.194179D+01
               151           152           153           154           155 
      1   0.133237D+01 -0.133139D+00  0.115297D+01  0.330917D+02  0.156453D+02
      2  -0.298833D+00 -0.205900D+00 -0.483162D+00 -0.167580D+02 -0.775908D+01
      3  -0.103354D+01  0.339039D+00 -0.669810D+00 -0.163337D+02 -0.788620D+01
      4  -0.942686D+00  0.331728D+00 -0.295843D+01  0.161178D+02  0.162179D+02
      5   0.402686D+01 -0.159369D+01 -0.101470D+01 -0.594299D+01 -0.390561D+01
      6  -0.290513D+01  0.244776D+01  0.211204D+01 -0.121145D+01 -0.857164D+00
               156           157           158           159           160 
      1  -0.499402D+01  0.300592D+02  0.150251D+02 -0.458616D+01 -0.986183D+01
      2   0.234631D+01 -0.154892D+02 -0.532314D+01  0.252691D+01  0.583916D+01
      3   0.264771D+01 -0.145700D+02 -0.970199D+01  0.205925D+01  0.402267D+01
      4  -0.335405D+01  0.191921D+02  0.225113D+02 -0.554327D+01 -0.601169D+01
      5   0.809482D+01 -0.645470D+01 -0.615513D+01  0.706920D+01  0.756110D+01
      6   0.110311D+01 -0.178269D+01 -0.179639D+01  0.105511D+01  0.150605D+01
               161           162           163           164           165 
      1  -0.537899D+01  0.517615D+01 -0.261723D+01  0.855839D+01  0.907491D+00
      2   0.302207D+01 -0.308949D+01  0.393278D+01 -0.132219D+02 -0.210018D+01
      3   0.235692D+01 -0.208666D+01 -0.131555D+01  0.466352D+01  0.119269D+01
      4  -0.713796D+01  0.382804D+01 -0.265517D+01 -0.713009D+00  0.127627D+01
      5   0.457203D+01 -0.376604D+01  0.379001D+00 -0.126141D+01 -0.149896D+01
      6   0.215945D+01 -0.165244D+01  0.165171D+01 -0.438731D+00 -0.132989D+01
               166           167           168           169           170 
      1   0.508720D+01 -0.295083D+02 -0.275169D+01  0.135479D+01 -0.798648D+01
      2  -0.426279D+01  0.517115D+02  0.681602D+01 -0.124768D+01  0.132945D+02
      3  -0.824415D+00 -0.222032D+02 -0.406434D+01 -0.107111D+00 -0.530805D+01
      4   0.715995D+01  0.138735D+02  0.100239D+01  0.214658D+01  0.389328D+01
      5  -0.150722D+01  0.367230D+01  0.346239D+01  0.280729D+00  0.242089D+01
      6  -0.930226D+00  0.140836D+01  0.761367D+01 -0.102869D+01  0.579920D+01
               171           172           173           174           175 
      1  -0.395062D+01  0.345762D+02  0.110186D+02  0.324369D+01  0.153426D+02
      2   0.522692D+01 -0.206837D+02 -0.942279D+01 -0.567552D+01 -0.119601D+02
      3  -0.127629D+01 -0.138926D+02 -0.159578D+01  0.243183D+01 -0.338255D+01
      4   0.849833D+00 -0.427539D+01  0.169144D+02 -0.743524D+01  0.153635D+02
      5   0.480166D+00  0.165925D+02 -0.425168D+01  0.214949D+02 -0.225353D+01
      6   0.222212D+01 -0.282422D+00  0.891284D+01 -0.766400D+01  0.621622D+01
               176           177           178           179           180 
      1   0.152767D+02 -0.543214D+01  0.727877D+01 -0.857326D+01  0.771968D+01
      2  -0.580120D+01  0.295160D+01 -0.721898D+01  0.292753D+01 -0.222229D+02
      3  -0.947547D+01  0.248054D+01 -0.597945D-01  0.564573D+01  0.145032D+02
      4   0.288083D+01  0.296234D+01 -0.859341D+01  0.834540D+00 -0.103503D+02
      5   0.444277D+01  0.464212D+01  0.346343D+02 -0.936586D+01  0.300179D+02
      6   0.405227D+01  0.211313D+01 -0.101250D+02  0.130812D+02 -0.367356D+01
               181           182           183           184           185 
      1   0.357049D+02  0.187622D+02 -0.797181D+01  0.297429D+02  0.160935D+02
      2  -0.193455D+02 -0.999485D+01  0.483803D+01 -0.166748D+02 -0.587258D+01
      3  -0.163593D+02 -0.876738D+01  0.313379D+01 -0.130681D+02 -0.102209D+02
      4   0.172146D+02  0.162690D+02 -0.327078D+01  0.188156D+02  0.244543D+02
      5  -0.121162D+02 -0.559395D+01  0.112061D+02 -0.882692D+01 -0.121593D+02
      6  -0.149510D+01 -0.303905D+01  0.443958D+00 -0.337389D+01 -0.301180D+01
               186           187           188           189           190 
      1  -0.514703D+01 -0.890183D+01 -0.266692D+01  0.705957D+01  0.131661D+02
      2   0.444322D+01  0.606846D+01  0.282884D+01 -0.600817D+01 -0.452319D+01
      3   0.703809D+00  0.283338D+01 -0.161920D+00 -0.105140D+01 -0.864291D+01
      4  -0.994563D+01 -0.312510D+01 -0.788214D+01  0.528436D+01 -0.136824D+02
      5   0.101965D+02  0.135379D+02  0.707344D+01 -0.708354D+01 -0.135062D+02
      6   0.299683D+01  0.842952D+00  0.448363D+01 -0.224195D+01  0.605147D+01
               191           192           193           194           195 
      1  -0.776537D+01 -0.899660D+01 -0.127124D+02  0.437813D+01 -0.230033D-01
      2   0.140865D+01  0.445586D+01  0.211170D+01  0.995112D+01  0.330746D+01
      3   0.635673D+01  0.454073D+01  0.106007D+02 -0.143293D+02 -0.328446D+01
      4   0.158487D+02  0.783041D+01  0.263735D+02 -0.367158D+02 -0.204915D+02
      5   0.736023D+01  0.117547D+02  0.134797D+02 -0.218214D+02 -0.239278D+02
      6  -0.474660D+01 -0.468550D+01 -0.877594D+01  0.177092D+02  0.162836D+02
               196           197           198           199           200 
      1  -0.104494D+02 -0.995390D-01  0.161241D+01 -0.164494D+01  0.955047D+01
      2   0.574219D+01  0.195295D+01 -0.321911D+01  0.348565D+01 -0.137560D+02
      3   0.470718D+01 -0.185341D+01  0.160671D+01 -0.184071D+01  0.420555D+01
      4   0.117209D+02 -0.177827D+02 -0.180190D+02  0.485042D+00  0.195017D+01
      5   0.182364D+02 -0.189241D+02 -0.254555D+02  0.398652D+00 -0.741910D+00
      6  -0.768947D+01  0.146353D+02  0.155265D+02  0.195411D+01 -0.437782D+01
               201           202           203           204           205 
      1   0.292706D+01  0.461483D+01 -0.344981D+02 -0.817295D+01  0.231666D+01
      2  -0.356075D+01 -0.235962D+01  0.602661D+02  0.130510D+02 -0.144427D+01
      3   0.633693D+00 -0.225521D+01 -0.257681D+02 -0.487806D+01 -0.872391D+00
      4   0.101490D+01  0.779516D+01  0.214503D+02  0.372243D+01  0.325002D+01
      5  -0.388630D+00  0.113959D-01  0.666181D+01  0.544082D+01  0.673343D+00
      6  -0.259593D+01 -0.545036D+00  0.161768D+02  0.116969D+02 -0.605441D+00
               206           207           208           209           210 
      1  -0.163682D+02 -0.801291D+01 -0.158933D+02 -0.117733D+02  0.758067D+01
      2   0.255310D+02  0.108410D+02  0.100590D+02  0.818775D+01 -0.261966D+01
      3  -0.916278D+01 -0.282813D+01  0.583429D+01  0.358553D+01 -0.496101D+01
      4   0.898476D+01  0.342797D+01  0.933396D+00 -0.734458D+01  0.388149D+01
      5   0.568114D+01  0.252263D+01 -0.225498D+01  0.198035D+01 -0.786765D+01
      6   0.144779D+02  0.794411D+01 -0.314791D+01 -0.710970D+01  0.694787D+01
               211           212           213           214           215 
      1  -0.170217D+02 -0.162171D+02  0.883673D+01  0.814743D+01  0.739345D+01
      2   0.106594D+02  0.140482D+02 -0.542866D+01 -0.363659D+01 -0.462853D+01
      3   0.636231D+01  0.216894D+01 -0.340807D+01 -0.451084D+01 -0.276492D+01
      4   0.239530D+00 -0.124043D+02  0.700218D+01  0.465523D+00  0.665461D+01
      5  -0.199977D+01  0.537681D+01 -0.963769D+01  0.137810D+01 -0.287740D+01
      6  -0.372434D+01 -0.114488D+02  0.898724D+01  0.295042D+01  0.694351D+01
               216 
      1  -0.760036D+01
      2   0.213838D+01
      3   0.546198D+01
      4  -0.263758D+01
      5   0.798462D+01
      6  -0.684641D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.171391D+01      0.435633D+01      0.145312D+02
   x         -0.115276D+01     -0.293002D+01     -0.977350D+01
   y         -0.956242D+00     -0.243052D+01     -0.810735D+01
   z         -0.833212D+00     -0.211781D+01     -0.706427D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119581D+03      0.177201D+02      0.197163D+02
   aniso      0.167132D+02      0.247665D+01      0.275564D+01
   xx         0.127181D+03      0.188462D+02      0.209693D+02
   yx         0.270505D+01      0.400848D+00      0.446003D+00
   yy         0.121777D+03      0.180455D+02      0.200784D+02
   zx        -0.252811D+01     -0.374627D+00     -0.416829D+00
   zy        -0.375153D+00     -0.555919D-01     -0.618544D-01
   zz         0.109786D+03      0.162686D+02      0.181013D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.111702D+03      0.165525D+02      0.184171D+02
   aniso      0.200994D+02      0.297842D+01      0.331394D+01
   xx         0.121367D+03      0.179847D+02      0.200106D+02
   yx         0.155959D+01      0.231108D+00      0.257142D+00
   yy         0.114580D+03      0.169791D+02      0.188918D+02
   zx        -0.158736D+01     -0.235223D+00     -0.261721D+00
   zy        -0.430204D+00     -0.637496D-01     -0.709310D-01
   zz         0.991577D+02      0.146936D+02      0.163489D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.42371345         -2.31825380         -0.08745804
     6         -2.37877006         -0.32950527          1.74046747
     6          0.36393010         -1.15961162         -2.01126163
     6          2.46929851          0.30003364         -0.67912699
     8          1.41183360          2.10103138          1.04275652
     6         -0.13683676          1.01926033          2.93502196
     8         -3.42798117         -3.47967226         -1.44510478
     1         -0.38445762         -3.75450945          0.99363755
     8         -3.88122708         -1.58429511          3.57558061
     1         -3.49149153          1.08390141          0.71297505
     1         -0.69819354          0.15585496         -3.20547373
     8          1.52451616         -3.05990222         -3.50392099
     6          4.11114118          1.80325654         -2.49177161
     1          3.66412720         -1.05181266          0.34863274
     8         -1.08804274          2.94625593          4.45811426
     1          0.98896690         -0.33014576          4.05006302
     1         -4.61955073         -4.12853760         -0.22749956
     1         -4.51815251         -0.33031598          4.73421679
     1          0.19076394         -4.09033051         -4.19914722
     8          2.72431456          3.69976966         -3.77540719
     1          4.87054461          0.53499619         -3.92286115
     1          5.68713508          2.62717221         -1.42844320
     1          0.28021783          3.69657011          5.39814566
     1          1.89251090          4.71058165         -2.50562792

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.171391D+01      0.435633D+01      0.145312D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.171391D+01      0.435633D+01      0.145312D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119581D+03      0.177201D+02      0.197163D+02
   aniso      0.167132D+02      0.247665D+01      0.275564D+01
   xx         0.120255D+03      0.178200D+02      0.198274D+02
   yx         0.309050D+01      0.457964D+00      0.509554D+00
   yy         0.116928D+03      0.173269D+02      0.192788D+02
   zx        -0.751494D+01     -0.111360D+01     -0.123905D+01
   zy         0.462363D+01      0.685151D+00      0.762333D+00
   zz         0.121561D+03      0.180135D+02      0.200427D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.111702D+03      0.165525D+02      0.184171D+02
   aniso      0.200994D+02      0.297842D+01      0.331394D+01
   xx         0.111678D+03      0.165490D+02      0.184133D+02
   yx         0.550776D+01      0.816165D+00      0.908106D+00
   yy         0.109522D+03      0.162295D+02      0.180577D+02
   zx        -0.895376D+01     -0.132681D+01     -0.147628D+01
   zy         0.439933D+01      0.651914D+00      0.725352D+00
   zz         0.113904D+03      0.168789D+02      0.187803D+02

 ----------------------------------------------------------------------
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 264\\\@


 THE SOLUTION TO A PROBLEM CHANGES THE PROBLEM.

                                 -- JOHN PEERS
           PAUL DICKSON'S "THE OFFICIAL RULES"
 Job cpu time:       0 days  2 hours 50 minutes 36.6 seconds.
 Elapsed time:       0 days  0 hours 21 minutes 24.4 seconds.
 File lengths (MBytes):  RWF=    401 Int=      0 D2E=      0 Chk=     20 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 19:35:18 2022.
